2-Methyl-5-(propan-2-yl)cyclohexan-1-ol
PubChem CID: 86850
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| Compound Synonyms | 2-methyl-5-(propan-2-yl)cyclohexan-1-ol, 60320-28-7, Carvomenthol, 1845-59-6, 5-Isopropyl-2-methylcyclohexanol, 2-methyl-5-propan-2-ylcyclohexan-1-ol, Cyclohexanol, 2-methyl-5-(1-methylethyl)-, [1S-(1alpha,2beta,5alpha)]-5-(isopropyl)-2-methylcyclohexan-1-ol, 2-Methyl-5-(1-methylethyl)cyclohexanol, (1S-(1alpha,2beta,5alpha))-5-(Isopropyl)-2-methylcyclohexan-1-ol, Tetrahydrocarveol, 3858-43-3, p-Menhtan-2-ol, 3127-80-8, EINECS 217-425-4, EINECS 221-510-1, 5-ISOPROPYL-2-METHYLCYCLOHEXAN-1-OL, (1alpha,2beta,5alpha)-5-(Isopropyl)-2-methylcyclohexan-1-ol, (1R-(1alpha,2alpha,5alpha))-5-(Isopropyl)-2-methylcyclohexan-1-ol, SCHEMBL2162465, DTXSID30862052, (1alpha,2beta,5beta)-5-(Isopropyl)-2-methylcyclohexan-1-ol, KCA32028, EINECS 223-368-6, EINECS 226-936-1, (1R-(1alpha,2alpha,5beta))-5-(Isopropyl)-2-methylcyclohexan-1-ol, NSC404223, AKOS004906088, NSC 404223, NSC-404223, NS00082055, EN300-686882, G53563, Z1509104319, 823-872-1 |
|---|---|
| Topological Polar Surface Area | 20.2 |
| Hydrogen Bond Donor Count | 1.0 |
| Heavy Atom Count | 11.0 |
| Description | Flavouring ingredient |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 120.0 |
| Database Name | cmaup_ingredients;fooddb_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 2-methyl-5-propan-2-ylcyclohexan-1-ol |
| Prediction Hob | 1.0 |
| Class | Prenol lipids |
| Xlogp | 3.0 |
| Superclass | Lipids and lipid-like molecules |
| Subclass | Monoterpenoids |
| Molecular Formula | C10H20O |
| Prediction Swissadme | 0.0 |
| Inchi Key | ULJXKUJMXIVDOY-UHFFFAOYSA-N |
| Fcsp3 | 1.0 |
| Rotatable Bond Count | 1.0 |
| Synonyms | (+/-)-carvomenthol, (±)-Carvomenthol, (1alpha,2beta,5alpha)-5-(Isopropyl)-2-methylcyclohexan-1-ol, 1-Methyl-4-isopropyl-2-cyclohexanol, 3-Isopropyl-6-methylcyclohexanol, 5-Isopropyl-2-methylcyclohexanol, Carvomenthol, Hexahydrocarvacrol, Menthan-2-ol, p-, p-Menthan-2-ol |
| Substituent Name | Menthane monoterpenoid, Monocyclic monoterpenoid, Cyclohexanol, Cyclic alcohol, Secondary alcohol, Hydrocarbon derivative, Organooxygen compound, Alcohol, Aliphatic homomonocyclic compound |
| Compound Name | 2-Methyl-5-(propan-2-yl)cyclohexan-1-ol |
| Kingdom | Organic compounds |
| 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 |
| Smiles | CC1CCC(CC1O)C(C)C |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Orixa Japonica (Plant) Rel Props:Source_db:cmaup_ingredients