Cyclohexane, (1-octylnonyl)-
PubChem CID: 299550
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| Compound Synonyms | Cyclohexane, (1-octylnonyl)-, (1-Octylnonyl)cyclohexane, 55124-77-1, 9-Cyclohexylheptadecane, NSC172762, 9-cyclohexyl-heptadecane, (1-Octylnonyl)cyclohexane #, DTXSID80305929, QQUZVPOZCFYGDY-UHFFFAOYSA-N, NSC-172762 |
|---|---|
| Ghose Rule | False |
| Classyfire Kingdom | Organic compounds |
| Topological Polar Surface Area | 0.0 |
| Hydrogen Bond Donor Count | 0.0 |
| Pfizer 3 75 Rule | False |
| Scaffold Graph Level | C1CCCCC1 |
| Np Classifier Class | Hydrocarbons |
| Deep Smiles | CCCCCCCCCCCCCCC6))))))CCCCCCCC |
| Heavy Atom Count | 23.0 |
| Classyfire Class | Saturated hydrocarbons |
| Scaffold Graph Node Level | C1CCCCC1 |
| Classyfire Subclass | Cycloalkanes |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 210.0 |
| Database Name | imppat_phytochem;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | heptadecan-9-ylcyclohexane |
| Veber Rule | False |
| Classyfire Superclass | Hydrocarbons |
| Xlogp | 11.9 |
| Gsk 4 400 Rule | False |
| Molecular Formula | C23H46 |
| Scaffold Graph Node Bond Level | C1CCCCC1 |
| Inchi Key | QQUZVPOZCFYGDY-UHFFFAOYSA-N |
| Silicos It Class | Poorly soluble |
| Rotatable Bond Count | 15.0 |
| Synonyms | (1-octylnonyl)-cyclohexane |
| Esol Class | Poorly soluble |
| Compound Name | Cyclohexane, (1-octylnonyl)- |
| Exact Mass | 322.36 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 322.36 |
| Hydrogen Bond Acceptor Count | 0.0 |
| Molecular Weight | 322.6 |
| Gi Absorption | False |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Lipinski Rule Of 5 | True |
| Inchi | InChI=1S/C23H46/c1-3-5-7-9-11-14-18-22(23-20-16-13-17-21-23)19-15-12-10-8-6-4-2/h22-23H,3-21H2,1-2H3 |
| Smiles | CCCCCCCCC(CCCCCCCC)C1CCCCC1 |
| Np Classifier Biosynthetic Pathway | Fatty acids |
| Defined Bond Stereocenter Count | 0.0 |
| 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