Cyclohexanol, 2-methyl-5-(1-methylethyl)-, (1alpha,2beta,5alpha)-
PubChem CID: 6432473
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| Compound Synonyms | Carvomenthol, (+)-Carvomenthol, (1S)-(+)-Carvomenthol, Cyclohexanol, 2-methyl-5-(1-methylethyl)-, (1.alpha.,2.beta.,5.alpha.)-, 5-Isopropyl-2-methylcyclohexanol, (1.alpha.,2.beta.,5.alpha.)-, Cyclohexanol, 2-methyl-5-(1-methylethyl)-, (1alpha,2beta,5alpha)-, SCHEMBL12449332, DTXSID701020781, CYCLOHEXANOL, 2-METHYL-5-(1-METHYL ETHYL)- |
|---|---|
| Topological Polar Surface Area | 20.2 |
| Hydrogen Bond Donor Count | 1.0 |
| Heavy Atom Count | 11.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 120.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 3.0 |
| Iupac Name | (1S,2S,5S)-2-methyl-5-propan-2-ylcyclohexan-1-ol |
| Prediction Hob | 1.0 |
| Xlogp | 3.0 |
| Molecular Formula | C10H20O |
| Prediction Swissadme | 0.0 |
| Inchi Key | ULJXKUJMXIVDOY-GUBZILKMSA-N |
| Fcsp3 | 1.0 |
| Logs | -2.219 |
| Rotatable Bond Count | 1.0 |
| Logd | 3.683 |
| Compound Name | Cyclohexanol, 2-methyl-5-(1-methylethyl)-, (1alpha,2beta,5alpha)- |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 156.151 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 156.151 |
| Hydrogen Bond Acceptor Count | 1.0 |
| Molecular Weight | 156.26 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 3.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -2.6454678 |
| Inchi | InChI=1S/C10H20O/c1-7(2)9-5-4-8(3)10(11)6-9/h7-11H,4-6H2,1-3H3/t8-,9-,10-/m0/s1 |
| Smiles | C[C@H]1CC[C@@H](C[C@@H]1O)C(C)C |
| Nring | 1.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Artemisia Annua (Plant) Rel Props:Source_db:cmaup_ingredients - 2. Outgoing r'ship
FOUND_INto/from Artemisia Argyi (Plant) Rel Props:Source_db:cmaup_ingredients - 3. Outgoing r'ship
FOUND_INto/from Orixa Japonica (Plant) Rel Props:Source_db:cmaup_ingredients