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Showing metabocard for 4,6,8-trimethyl-1-nonene (HMDB0062786)

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Record Information
Version5.0
StatusExpected but not Quantified
Creation Date2017-03-23 06:18:29 UTC
Update Date2022-03-07 03:17:59 UTC
HMDB IDHMDB0062786
Secondary Accession Numbers
  • HMDB62786
Metabolite Identification
Common Name4,6,8-trimethyl-1-nonene
Description4,6,8-trimethyl-1-nonene belongs to the class of organic compounds known as unsaturated aliphatic hydrocarbons. These are aliphatic Hydrocarbons that contains one or more unsaturated carbon atoms. These compounds contain one or more double or triple bonds. 4,6,8-trimethyl-1-nonene is possibly neutral.
Structure
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MOL3D MOLSDF3D SDFPDB3D PDBSMILESInChI

MOL for HMDB0062786 (4,6,8-trimethyl-1-nonene)

  Mrv1652303231707182D          

 12 11  0  0  0  0            999 V2000
    2.9980    2.5559    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7125    2.1434    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7125    1.3184    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4270    2.5559    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1414    2.1434    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1414    1.3184    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8559    2.5559    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5704    2.1434    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5704    1.3184    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2849    2.5559    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9993    2.1434    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7138    2.5559    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  2  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  5  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  8 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  2  0  0  0  0
M  END
Download

3D MOL for HMDB0062786 (4,6,8-trimethyl-1-nonene)

HMDB0062786
     RDKit          3D
4,6,8-trimethyl-1-nonene
 36 35  0  0  0  0  0  0  0  0999 V2000
    5.0869    0.4654   -0.5038 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0171    0.7619    0.2101 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6928    1.0164   -0.4070 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6991   -0.0100    0.1421 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2029   -1.3674   -0.2205 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3094    0.2686   -0.3909 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6308   -0.7426    0.1559 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6899   -0.7165    1.6580 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9782   -0.7574   -0.4750 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7765    0.4864   -0.4024 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1121    0.9949    0.9555 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1146    0.1885   -1.0997 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0512    0.3923   -1.5855 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0385    0.2852   -0.0253 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1058    0.8223    1.2821 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7711    0.8146   -1.4956 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3485    2.0533   -0.2159 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6569    0.0650    1.2573 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3014   -1.3821   -0.0432 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7772   -2.1800    0.3942 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9877   -1.5204   -1.3144 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0589    1.3031   -0.0694 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3076    0.1868   -1.4962 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1715   -1.7534   -0.0982 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7913    0.3055    2.0689 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4782   -1.4179    2.0513 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2611   -1.1352    2.1025 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5760   -1.5702    0.0120 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9216   -1.0592   -1.5475 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3366    1.3156   -1.0333 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4180    1.8363    1.2247 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1264    1.4994    0.9820 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1814    0.2092    1.7132 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8009    1.0441   -1.0418 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9559   -0.0455   -2.1639 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6143   -0.6571   -0.5800 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  3
  2  3  1  0
  3  4  1  0
  4  5  1  0
  4  6  1  0
  6  7  1  0
  7  8  1  0
  7  9  1  0
  9 10  1  0
 10 11  1  0
 10 12  1  0
  1 13  1  0
  1 14  1  0
  2 15  1  0
  3 16  1  0
  3 17  1  0
  4 18  1  0
  5 19  1  0
  5 20  1  0
  5 21  1  0
  6 22  1  0
  6 23  1  0
  7 24  1  0
  8 25  1  0
  8 26  1  0
  8 27  1  0
  9 28  1  0
  9 29  1  0
 10 30  1  0
 11 31  1  0
 11 32  1  0
 11 33  1  0
 12 34  1  0
 12 35  1  0
 12 36  1  0
M  END
Download

3D SDF for HMDB0062786 (4,6,8-trimethyl-1-nonene)

  Mrv1652303231707182D          

 12 11  0  0  0  0            999 V2000
    2.9980    2.5559    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7125    2.1434    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7125    1.3184    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4270    2.5559    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1414    2.1434    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1414    1.3184    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8559    2.5559    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5704    2.1434    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5704    1.3184    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2849    2.5559    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9993    2.1434    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7138    2.5559    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  2  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  5  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  8 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  2  0  0  0  0
M  END
> <DATABASE_ID>
HMDB0062786

> <DATABASE_NAME>
hmdb

> <SMILES>
CC(C)CC(C)CC(C)CC=C

> <INCHI_IDENTIFIER>
InChI=1S/C12H24/c1-6-7-11(4)9-12(5)8-10(2)3/h6,10-12H,1,7-9H2,2-5H3

> <INCHI_KEY>
MYYALSDXVMCKSR-UHFFFAOYSA-N

> <FORMULA>
C12H24

> <MOLECULAR_WEIGHT>
168.324

> <EXACT_MASS>
168.187800773

> <JCHEM_ACCEPTOR_COUNT>
0

> <JCHEM_ATOM_COUNT>
36

> <JCHEM_AVERAGE_POLARIZABILITY>
22.633914547885514

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
0

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
1

> <JCHEM_IUPAC>
4,6,8-trimethylnon-1-ene

> <ALOGPS_LOGP>
5.92

> <JCHEM_LOGP>
5.021913190333334

> <ALOGPS_LOGS>
-5.48

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
0

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_POLAR_SURFACE_AREA>
0.0

> <JCHEM_REFRACTIVITY>
56.9011

> <JCHEM_ROTATABLE_BOND_COUNT>
6

> <JCHEM_RULE_OF_FIVE>
0

> <ALOGPS_SOLUBILITY>
5.54e-04 g/l

> <JCHEM_TRADITIONAL_IUPAC>
4,6,8-trimethylnon-1-ene

> <JCHEM_VEBER_RULE>
1

$$$$
Download

3D-SDF for HMDB0062786 (4,6,8-trimethyl-1-nonene)

HMDB0062786
     RDKit          3D
4,6,8-trimethyl-1-nonene
 36 35  0  0  0  0  0  0  0  0999 V2000
    5.0869    0.4654   -0.5038 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0171    0.7619    0.2101 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6928    1.0164   -0.4070 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6991   -0.0100    0.1421 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2029   -1.3674   -0.2205 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3094    0.2686   -0.3909 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6308   -0.7426    0.1559 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6899   -0.7165    1.6580 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9782   -0.7574   -0.4750 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7765    0.4864   -0.4024 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1121    0.9949    0.9555 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1146    0.1885   -1.0997 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0512    0.3923   -1.5855 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0385    0.2852   -0.0253 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1058    0.8223    1.2821 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7711    0.8146   -1.4956 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3485    2.0533   -0.2159 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6569    0.0650    1.2573 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3014   -1.3821   -0.0432 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7772   -2.1800    0.3942 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9877   -1.5204   -1.3144 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0589    1.3031   -0.0694 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3076    0.1868   -1.4962 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1715   -1.7534   -0.0982 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7913    0.3055    2.0689 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4782   -1.4179    2.0513 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2611   -1.1352    2.1025 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5760   -1.5702    0.0120 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9216   -1.0592   -1.5475 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3366    1.3156   -1.0333 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4180    1.8363    1.2247 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1264    1.4994    0.9820 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1814    0.2092    1.7132 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8009    1.0441   -1.0418 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9559   -0.0455   -2.1639 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6143   -0.6571   -0.5800 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  3
  2  3  1  0
  3  4  1  0
  4  5  1  0
  4  6  1  0
  6  7  1  0
  7  8  1  0
  7  9  1  0
  9 10  1  0
 10 11  1  0
 10 12  1  0
  1 13  1  0
  1 14  1  0
  2 15  1  0
  3 16  1  0
  3 17  1  0
  4 18  1  0
  5 19  1  0
  5 20  1  0
  5 21  1  0
  6 22  1  0
  6 23  1  0
  7 24  1  0
  8 25  1  0
  8 26  1  0
  8 27  1  0
  9 28  1  0
  9 29  1  0
 10 30  1  0
 11 31  1  0
 11 32  1  0
 11 33  1  0
 12 34  1  0
 12 35  1  0
 12 36  1  0
M  END
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PDB for HMDB0062786 (4,6,8-trimethyl-1-nonene)

HEADER    PROTEIN                                 23-MAR-17   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   23-MAR-17         0                                  
HETATM    1  C   UNK     0       5.596   4.771   0.000  0.00  0.00           C+0
HETATM    2  C   UNK     0       6.930   4.001   0.000  0.00  0.00           C+0
HETATM    3  C   UNK     0       6.930   2.461   0.000  0.00  0.00           C+0
HETATM    4  C   UNK     0       8.264   4.771   0.000  0.00  0.00           C+0
HETATM    5  C   UNK     0       9.597   4.001   0.000  0.00  0.00           C+0
HETATM    6  C   UNK     0       9.597   2.461   0.000  0.00  0.00           C+0
HETATM    7  C   UNK     0      10.931   4.771   0.000  0.00  0.00           C+0
HETATM    8  C   UNK     0      12.265   4.001   0.000  0.00  0.00           C+0
HETATM    9  C   UNK     0      12.265   2.461   0.000  0.00  0.00           C+0
HETATM   10  C   UNK     0      13.598   4.771   0.000  0.00  0.00           C+0
HETATM   11  C   UNK     0      14.932   4.001   0.000  0.00  0.00           C+0
HETATM   12  C   UNK     0      16.266   4.771   0.000  0.00  0.00           C+0
CONECT    1    2                                                            
CONECT    2    1    3    4                                                  
CONECT    3    2                                                            
CONECT    4    2    5                                                       
CONECT    5    4    6    7                                                  
CONECT    6    5                                                            
CONECT    7    5    8                                                       
CONECT    8    7    9   10                                                  
CONECT    9    8                                                            
CONECT   10    8   11                                                       
CONECT   11   10   12                                                       
CONECT   12   11                                                            
MASTER        0    0    0    0    0    0    0    0   12    0   22    0
END
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3D PDB for HMDB0062786 (4,6,8-trimethyl-1-nonene)

COMPND    HMDB0062786
HETATM    1  C1  UNL     1       5.087   0.465  -0.504  1.00  0.00           C  
HETATM    2  C2  UNL     1       4.017   0.762   0.210  1.00  0.00           C  
HETATM    3  C3  UNL     1       2.693   1.016  -0.407  1.00  0.00           C  
HETATM    4  C4  UNL     1       1.699  -0.010   0.142  1.00  0.00           C  
HETATM    5  C5  UNL     1       2.203  -1.367  -0.221  1.00  0.00           C  
HETATM    6  C6  UNL     1       0.309   0.269  -0.391  1.00  0.00           C  
HETATM    7  C7  UNL     1      -0.631  -0.743   0.156  1.00  0.00           C  
HETATM    8  C8  UNL     1      -0.690  -0.716   1.658  1.00  0.00           C  
HETATM    9  C9  UNL     1      -1.978  -0.757  -0.475  1.00  0.00           C  
HETATM   10  C10 UNL     1      -2.776   0.486  -0.402  1.00  0.00           C  
HETATM   11  C11 UNL     1      -3.112   0.995   0.955  1.00  0.00           C  
HETATM   12  C12 UNL     1      -4.115   0.188  -1.100  1.00  0.00           C  
HETATM   13  H1  UNL     1       5.051   0.392  -1.586  1.00  0.00           H  
HETATM   14  H2  UNL     1       6.038   0.285  -0.025  1.00  0.00           H  
HETATM   15  H3  UNL     1       4.106   0.822   1.282  1.00  0.00           H  
HETATM   16  H4  UNL     1       2.771   0.815  -1.496  1.00  0.00           H  
HETATM   17  H5  UNL     1       2.348   2.053  -0.216  1.00  0.00           H  
HETATM   18  H6  UNL     1       1.657   0.065   1.257  1.00  0.00           H  
HETATM   19  H7  UNL     1       3.301  -1.382  -0.043  1.00  0.00           H  
HETATM   20  H8  UNL     1       1.777  -2.180   0.394  1.00  0.00           H  
HETATM   21  H9  UNL     1       1.988  -1.520  -1.314  1.00  0.00           H  
HETATM   22  H10 UNL     1       0.059   1.303  -0.069  1.00  0.00           H  
HETATM   23  H11 UNL     1       0.308   0.187  -1.496  1.00  0.00           H  
HETATM   24  H12 UNL     1      -0.171  -1.753  -0.098  1.00  0.00           H  
HETATM   25  H13 UNL     1      -0.791   0.305   2.069  1.00  0.00           H  
HETATM   26  H14 UNL     1      -1.478  -1.418   2.051  1.00  0.00           H  
HETATM   27  H15 UNL     1       0.261  -1.135   2.102  1.00  0.00           H  
HETATM   28  H16 UNL     1      -2.576  -1.570   0.012  1.00  0.00           H  
HETATM   29  H17 UNL     1      -1.922  -1.059  -1.547  1.00  0.00           H  
HETATM   30  H18 UNL     1      -2.337   1.316  -1.033  1.00  0.00           H  
HETATM   31  H19 UNL     1      -2.418   1.836   1.225  1.00  0.00           H  
HETATM   32  H20 UNL     1      -4.126   1.499   0.982  1.00  0.00           H  
HETATM   33  H21 UNL     1      -3.181   0.209   1.713  1.00  0.00           H  
HETATM   34  H22 UNL     1      -4.801   1.044  -1.042  1.00  0.00           H  
HETATM   35  H23 UNL     1      -3.956  -0.046  -2.164  1.00  0.00           H  
HETATM   36  H24 UNL     1      -4.614  -0.657  -0.580  1.00  0.00           H  
CONECT    1    2    2   13   14
CONECT    2    3   15
CONECT    3    4   16   17
CONECT    4    5    6   18
CONECT    5   19   20   21
CONECT    6    7   22   23
CONECT    7    8    9   24
CONECT    8   25   26   27
CONECT    9   10   28   29
CONECT   10   11   12   30
CONECT   11   31   32   33
CONECT   12   34   35   36
END
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SMILES for HMDB0062786 (4,6,8-trimethyl-1-nonene)

CC(C)CC(C)CC(C)CC=C
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INCHI for HMDB0062786 (4,6,8-trimethyl-1-nonene)

InChI=1S/C12H24/c1-6-7-11(4)9-12(5)8-10(2)3/h6,10-12H,1,7-9H2,2-5H3
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View in JSmolView Stereo Labels
SynonymsNot Available
Chemical FormulaC12H24
Average Molecular Weight168.324
Monoisotopic Molecular Weight168.187800773
IUPAC Name4,6,8-trimethylnon-1-ene
Traditional Name4,6,8-trimethylnon-1-ene
CAS Registry NumberNot Available
SMILES
CC(C)CC(C)CC(C)CC=C
InChI Identifier
InChI=1S/C12H24/c1-6-7-11(4)9-12(5)8-10(2)3/h6,10-12H,1,7-9H2,2-5H3
InChI KeyMYYALSDXVMCKSR-UHFFFAOYSA-N
Chemical Taxonomy
Description Belongs to the class of organic compounds known as unsaturated aliphatic hydrocarbons. These are aliphatic Hydrocarbons that contains one or more unsaturated carbon atoms. These compounds contain one or more double or triple bonds.
KingdomOrganic compounds
Super ClassHydrocarbons
ClassUnsaturated hydrocarbons
Sub ClassUnsaturated aliphatic hydrocarbons
Direct ParentUnsaturated aliphatic hydrocarbons
Alternative Parents
Substituents
  • Unsaturated aliphatic hydrocarbon
  • Olefin
  • Alkene
  • Acyclic olefin
  • Aliphatic acyclic compound
Molecular FrameworkAliphatic acyclic compounds
External Descriptors
Ontology
Physiological effectNot Available
Disposition
Source
ProcessNot Available
RoleNot Available
Physical Properties
StateNot Available
Experimental Molecular Properties
PropertyValueReference
Melting PointNot AvailableNot Available
Boiling PointNot AvailableNot Available
Water Solubility0.00055 g/lALOGPS
LogP5.92ALOGPS
Experimental Chromatographic PropertiesNot Available
Predicted Molecular Properties
PropertyValueSource
logP5.92ALOGPS
logP5.02ChemAxon
logS-5.5ALOGPS
Physiological Charge0ChemAxon
Hydrogen Acceptor Count0ChemAxon
Hydrogen Donor Count0ChemAxon
Polar Surface Area0 ŲChemAxon
Rotatable Bond Count6ChemAxon
Refractivity56.9 m³·mol⁻¹ChemAxon
Polarizability22.63 ųChemAxon
Number of Rings0ChemAxon
BioavailabilityYesChemAxon
Rule of FiveNoChemAxon
Ghose FilterYesChemAxon
Veber's RuleYesChemAxon
MDDR-like RuleNoChemAxon
Predicted Chromatographic Properties
Spectra
Biological Properties
Cellular LocationsNot Available
Biospecimen LocationsNot Available
Tissue LocationsNot Available
Pathways
Normal Concentrations
Not Available
Abnormal Concentrations
Not Available
Associated Disorders and Diseases
Disease ReferencesNone
Associated OMIM IDsNone
DrugBank IDNot Available
Phenol Explorer Compound IDNot Available
FooDB IDNot Available
KNApSAcK IDNot Available
Chemspider IDNot Available
KEGG Compound IDNot Available
BioCyc IDNot Available
BiGG IDNot Available
Wikipedia LinkNot Available
METLIN IDNot Available
PubChem CompoundNot Available
PDB IDNot Available
ChEBI ID84223
Food Biomarker OntologyNot Available
VMH IDNot Available
MarkerDB IDNot Available
Good Scents IDNot Available
References
Synthesis ReferenceNot Available
Material Safety Data Sheet (MSDS)Not Available
General ReferencesNot Available