4-Methyl-4-nonadecene
PubChem CID: 5364753
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| Compound Synonyms | 4-Methyl-4-nonadecene, LPDYVNCVHLCUQH-FMQUCBEESA-N, (4E)-4-Methyl-4-nonadecene # |
|---|---|
| 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 | CCCCCCCCCCCCCC/C=C/CCC)))C |
| Heavy Atom Count | 20.0 |
| Classyfire Class | Unsaturated hydrocarbons |
| Classyfire Subclass | Branched unsaturated hydrocarbons |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 202.0 |
| Database Name | imppat_phytochem;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | (E)-4-methylnonadec-4-ene |
| Veber Rule | False |
| Classyfire Superclass | Hydrocarbons |
| Xlogp | 10.2 |
| Gsk 4 400 Rule | False |
| Molecular Formula | C20H40 |
| Inchi Key | LPDYVNCVHLCUQH-FMQUCBEESA-N |
| Silicos It Class | Poorly soluble |
| Rotatable Bond Count | 15.0 |
| Synonyms | 4-methyl-4-nonadecene |
| Esol Class | Poorly soluble |
| Functional Groups | C/C=C(/C)C |
| Compound Name | 4-Methyl-4-nonadecene |
| Exact Mass | 280.313 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 280.313 |
| Hydrogen Bond Acceptor Count | 0.0 |
| Molecular Weight | 280.5 |
| Gi Absorption | False |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 1.0 |
| Lipinski Rule Of 5 | True |
| Inchi | InChI=1S/C20H40/c1-4-6-7-8-9-10-11-12-13-14-15-16-17-19-20(3)18-5-2/h19H,4-18H2,1-3H3/b20-19+ |
| Smiles | CCCCCCCCCCCCCC/C=C(\C)/CCC |
| Np Classifier Biosynthetic Pathway | Fatty acids |
| Defined Bond Stereocenter Count | 1.0 |
| Egan Rule | False |
| Np Classifier Superclass | Fatty acyls |
- 1. Outgoing r'ship
FOUND_INto/from Jatropha Curcas (Plant) Rel Props:Reference:https://doi.org/10.1080/0972060x.2014.886965