8-Methyl-3-hentriacontene
PubChem CID: 15872109
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| Compound Synonyms | 8-Methyl-3-hentriacontene |
|---|---|
| Ghose Rule | False |
| Classyfire Kingdom | Organic compounds |
| Topological Polar Surface Area | 0.0 |
| Hydrogen Bond Donor Count | 0.0 |
| Pfizer 3 75 Rule | False |
| Np Classifier Class | Hydrocarbons |
| Deep Smiles | CCCCCCCCCCCCCCCCCCCCCCCCCCC/C=C/CC)))))))C |
| Heavy Atom Count | 32.0 |
| Classyfire Class | Unsaturated hydrocarbons |
| Description | Constituent of the fruit of the famine food Momordica dioica. 8-Methyl-3-hentriacontene is found in fruits. |
| Classyfire Subclass | Unsaturated aliphatic hydrocarbons |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 342.0 |
| Database Name | fooddb_chem_all;hmdb_chem_all;imppat_phytochem;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | (E)-8-methylhentriacont-3-ene |
| Class | Unsaturated hydrocarbons |
| Veber Rule | False |
| Classyfire Superclass | Hydrocarbons |
| Xlogp | 16.3 |
| Superclass | Hydrocarbons |
| Subclass | Unsaturated aliphatic hydrocarbons |
| Gsk 4 400 Rule | False |
| Molecular Formula | C32H64 |
| Inchi Key | NEIFCRYWKMLIFK-VQHVLOKHSA-N |
| Silicos It Class | Insoluble |
| Rotatable Bond Count | 27.0 |
| Synonyms | 8-methylhentriacont-3-ene |
| Esol Class | Insoluble |
| Functional Groups | C/C=C/C |
| Compound Name | 8-Methyl-3-hentriacontene |
| Kingdom | Organic compounds |
| Exact Mass | 448.501 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 448.501 |
| Hydrogen Bond Acceptor Count | 0.0 |
| Molecular Weight | 448.8 |
| Gi Absorption | False |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 1.0 |
| Total Bond Stereocenter Count | 1.0 |
| Molecular Framework | Aliphatic acyclic compounds |
| Lipinski Rule Of 5 | True |
| Inchi | InChI=1S/C32H64/c1-4-6-8-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-27-29-31-32(3)30-28-26-9-7-5-2/h7,9,32H,4-6,8,10-31H2,1-3H3/b9-7+ |
| Smiles | CCCCCCCCCCCCCCCCCCCCCCCC(C)CCC/C=C/CC |
| Np Classifier Biosynthetic Pathway | Fatty acids |
| Defined Bond Stereocenter Count | 1.0 |
| Egan Rule | False |
| Taxonomy Direct Parent | Unsaturated aliphatic hydrocarbons |
| Np Classifier Superclass | Fatty acyls |
- 1. Outgoing r'ship
FOUND_INto/from Momordica Dioica (Plant) Rel Props:Reference:ISBN:9770972795006