Cyclohexanol, 3,3-dimethyl-
PubChem CID: 79105
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| Compound Synonyms | 3,3-Dimethylcyclohexanol, 767-12-4, 3,3-dimethylcyclohexan-1-ol, Cyclohexanol, 3,3-dimethyl-, Cyclohexanol,3,3-dimethyl-, DTXSID50870770, MFCD00045491, 3,3-dimethyl cyclohexanol, 3,3-dimethyl-cyclohexanol, SCHEMBL27958, DTXCID40818464, AAA76712, EX-A3411, AKOS006272345, BS-49999, EN300-248583, F20634, Z1198148603 |
|---|---|
| Ghose Rule | False |
| Classyfire Kingdom | Organic compounds |
| Topological Polar Surface Area | 20.2 |
| Hydrogen Bond Donor Count | 1.0 |
| Pfizer 3 75 Rule | False |
| Scaffold Graph Level | C1CCCCC1 |
| Deep Smiles | OCCCCCC6)C)C |
| Heavy Atom Count | 9.0 |
| Classyfire Class | Organooxygen compounds |
| Scaffold Graph Node Level | C1CCCCC1 |
| Classyfire Subclass | Alcohols and polyols |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 96.7 |
| Database Name | imppat_phytochem;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 3,3-dimethylcyclohexan-1-ol |
| Veber Rule | True |
| Classyfire Superclass | Organic oxygen compounds |
| Xlogp | 2.2 |
| Gsk 4 400 Rule | True |
| Molecular Formula | C8H16O |
| Scaffold Graph Node Bond Level | C1CCCCC1 |
| Inchi Key | DQBDGNSFXSCBJX-UHFFFAOYSA-N |
| Silicos It Class | Soluble |
| Rotatable Bond Count | 0.0 |
| Synonyms | 3,3-dimethylcyclohexanol |
| Esol Class | Soluble |
| Functional Groups | CO |
| Compound Name | Cyclohexanol, 3,3-dimethyl- |
| Exact Mass | 128.12 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 128.12 |
| Hydrogen Bond Acceptor Count | 1.0 |
| Molecular Weight | 128.21 |
| Gi Absorption | True |
| 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/C8H16O/c1-8(2)5-3-4-7(9)6-8/h7,9H,3-6H2,1-2H3 |
| Smiles | CC1(CCCC(C1)O)C |
| Defined Bond Stereocenter Count | 0.0 |
| Egan Rule | True |
- 1. Outgoing r'ship
FOUND_INto/from Capsicum Annuum (Plant) Rel Props:Reference:https://doi.org/10.1002/ffj.1913