2-Cyclohexyloctane
PubChem CID: 17901
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| Compound Synonyms | 2-CYCLOHEXYLOCTANE, 2883-05-8, Octane, 2-cyclohexyl-, DTXSID601017169, NSC 172764, octan-2-ylcyclohexane, 2-cyclohexyl-octane, NSC172764, (1-Methylheptyl)cyclohexane #, DTXCID701475356, NSC-172764, DS-004048 |
|---|---|
| Ghose Rule | True |
| 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 | CCCCCCCCCCCCC6))))))C |
| Heavy Atom Count | 14.0 |
| Classyfire Class | Saturated hydrocarbons |
| Scaffold Graph Node Level | C1CCCCC1 |
| Classyfire Subclass | Cycloalkanes |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 122.0 |
| Database Name | imppat_phytochem;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | octan-2-ylcyclohexane |
| Veber Rule | True |
| Classyfire Superclass | Hydrocarbons |
| Xlogp | 7.0 |
| Gsk 4 400 Rule | False |
| Molecular Formula | C14H28 |
| Scaffold Graph Node Bond Level | C1CCCCC1 |
| Inchi Key | IRKYBYIUHWZQGP-UHFFFAOYSA-N |
| Silicos It Class | Moderately soluble |
| Rotatable Bond Count | 6.0 |
| Synonyms | 2-cyclohexyloctane |
| Esol Class | Moderately soluble |
| Compound Name | 2-Cyclohexyloctane |
| Exact Mass | 196.219 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 196.219 |
| Hydrogen Bond Acceptor Count | 0.0 |
| Molecular Weight | 196.37 |
| Gi Absorption | False |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 1.0 |
| Total Bond Stereocenter Count | 0.0 |
| Lipinski Rule Of 5 | True |
| Inchi | InChI=1S/C14H28/c1-3-4-5-7-10-13(2)14-11-8-6-9-12-14/h13-14H,3-12H2,1-2H3 |
| Smiles | CCCCCCC(C)C1CCCCC1 |
| Np Classifier Biosynthetic Pathway | Fatty acids |
| Defined Bond Stereocenter Count | 0.0 |
| Egan Rule | True |
| Np Classifier Superclass | Fatty acyls |
- 1. Outgoing r'ship
FOUND_INto/from Camellia Sinensis (Plant) Rel Props:Reference:https://doi.org/10.1002/ffj.3385