1,1-Dimethylcyclohexane
PubChem CID: 11549
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| Compound Synonyms | 1,1-Dimethylcyclohexane, 590-66-9, gem-Dimethylcyclohexane, Cyclohexane, 1,1-dimethyl-, DIMETHYLCYCLOHEXANE, 1,1-dimethyl-cyclohexane, 27195-67-1, 2MEV4299RC, NSC-74156, UN2263, Cyclohexane, dimethyl-, 1,1-DIMETHYL CYCLOHEXANE, Dimethylcyclohexanes, EINECS 209-687-3, NSC 74156, 3,3-dimethylcyclohexane, 4,4-dimethylcyclohexane, Cyclohexane,1-dimethyl-, AI3-28793, UNII-2MEV4299RC, 1,1-Dimethylcyclohexane, 99%, DTXSID1074832, CHEBI:229279, NSC74156, AKOS015907015, NS00034074, Dimethylcyclohexanes [UN2263] [Flammable liquid], Q24702742, InChI=1/C8H16/c1-8(2)6-4-3-5-7-8/h3-7H2,1-2H |
|---|---|
| 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 | CCC)CCCCC6 |
| Heavy Atom Count | 8.0 |
| Classyfire Class | Saturated hydrocarbons |
| Scaffold Graph Node Level | C1CCCCC1 |
| Classyfire Subclass | Cycloalkanes |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 64.099 |
| Database Name | imppat_phytochem;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 1,1-dimethylcyclohexane |
| Veber Rule | True |
| Classyfire Superclass | Hydrocarbons |
| Xlogp | 3.9 |
| Gsk 4 400 Rule | True |
| Molecular Formula | C8H16 |
| Scaffold Graph Node Bond Level | C1CCCCC1 |
| Inchi Key | QEGNUYASOUJEHD-UHFFFAOYSA-N |
| Silicos It Class | Soluble |
| Rotatable Bond Count | 0.0 |
| Synonyms | 1,1-dimethylcyclohexane |
| Esol Class | Soluble |
| Compound Name | 1,1-Dimethylcyclohexane |
| Exact Mass | 112.125 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 112.125 |
| Hydrogen Bond Acceptor Count | 0.0 |
| Molecular Weight | 112.21 |
| 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/C8H16/c1-8(2)6-4-3-5-7-8/h3-7H2,1-2H3 |
| Smiles | CC1(CCCCC1)C |
| 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 Asystasia Gangetica (Plant) Rel Props:Reference:https://doi.org/10.1080/0972060x.2011.10643975