(1-Methylbutyl)cyclohexane
PubChem CID: 543985
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| Compound Synonyms | (1-Methylbutyl)cyclohexane, (1-Methylbutyl)cyclohexane #, 1,2-Methyl-n-Butylcyclohexan, Cyclohexane, (1-methylbutyl)-, ZYJFJURMFHCWOB-UHFFFAOYSA-N, DTXSID601337537, 61208-94-4 |
|---|---|
| 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 | CCCCCCCCCC6))))))C |
| Heavy Atom Count | 11.0 |
| Classyfire Class | Saturated hydrocarbons |
| Scaffold Graph Node Level | C1CCCCC1 |
| Classyfire Subclass | Cycloalkanes |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 90.2 |
| Database Name | imppat_phytochem;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | pentan-2-ylcyclohexane |
| Veber Rule | True |
| Classyfire Superclass | Hydrocarbons |
| Xlogp | 5.4 |
| Gsk 4 400 Rule | False |
| Molecular Formula | C11H22 |
| Scaffold Graph Node Bond Level | C1CCCCC1 |
| Inchi Key | ZYJFJURMFHCWOB-UHFFFAOYSA-N |
| Silicos It Class | Soluble |
| Rotatable Bond Count | 3.0 |
| Synonyms | (1-methylbutyl)-cyclohexane |
| Esol Class | Soluble |
| Compound Name | (1-Methylbutyl)cyclohexane |
| Exact Mass | 154.172 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 154.172 |
| Hydrogen Bond Acceptor Count | 0.0 |
| Molecular Weight | 154.29 |
| 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/C11H22/c1-3-7-10(2)11-8-5-4-6-9-11/h10-11H,3-9H2,1-2H3 |
| Smiles | CCCC(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