Cyclohexanol, 5-methyl-2-(1-methylethenyl)-
PubChem CID: 24585
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| Compound Synonyms | Isopulegol, 7786-67-6, p-Menth-8-en-3-ol, 5-methyl-2-(prop-1-en-2-yl)cyclohexan-1-ol, 8(9)-p-Menthen-3-ol, 5-methyl-2-prop-1-en-2-ylcyclohexan-1-ol, 1-Methyl-4-isopropenylcyclohexan-3-ol, Cyclohexanol, 5-methyl-2-(1-methylethenyl)-, 5-Methyl-2-(1-methylvinyl)cyclohexan-1-ol, dl-isopulegol, 5-Methyl-2-(prop-1-en-2-yl)cyclohexanol, EINECS 232-102-8, NSC 231369, DTXSID3044461, 5-methyl-2-(1-methylethenyl)cyclohexanol, DTXCID1024461, EC 232-102-8, 2-Isopropenyl-5-methylcyclohexanol, ISOPULEGOL (MIXTURE OF ISOMERS), 5-methyl-2-(1-methylethenyl)-cyclohexanol, Neo-isopulegol, 50373-36-9, Isopregol, MFCD00134655, 2-isopropenyl-5-methyl-cyclohexanol, 5-Methyl-2-(1-methylethenyl)cyclohexanol, 2-Isopropenyl-5-methylcyclohexanol, 5-Methyl-2-(1-methylvinyl)cyclohexanol, p-Menth-8-en-3-ol, (+/-)Neo isopulegol, SCHEMBL80860, Isopulegol, (.+/-.)-, Epi-isopulegol (methyl axial), (+/-)-(1alpha,2beta,5alpha)-5-methyl-2-(1-methylvinyl)cyclohexan-1-ol, CHEMBL3560085, FEMA 2962, BDBM248163, Tox21_303961, NSC231369, WLN: L6TJ AY1&U1 BQ D1, isopulegol (stereochemistry undefined), AKOS015840798, HY-W355141, NCGC00356973-01, DA-02852, FI167371, SY211633, CAS-7786-67-6, DB-059211, CS-0466425, M0320, NS00008166, D91316, EN300-261554, 5-Methyl-2-(1-methylethenyl)cyclohexanol, 9CI, Q54727900, (1R,2S,5R)-5-Methyl-2-(1-propen-2-yl)cyclohexanol, 2-Isopropenyl-5-methylcyclohexanol, (1.alpha.,2.beta.,5.alpha.)-, Cyclohexanol, 5-methyl-2-(1-methylethenyl)-, (1.alpha.,2.beta.,5.alpha.)-(.+/-.)-, 232-102-8 |
|---|---|
| Topological Polar Surface Area | 20.2 |
| Hydrogen Bond Donor Count | 1.0 |
| Heavy Atom Count | 11.0 |
| Description | Various stereoisomers occur in essential oils. Flavouring agent |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 151.0 |
| Database Name | cmaup_ingredients;fooddb_chem_all;hmdb_chem_all;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 5-methyl-2-prop-1-en-2-ylcyclohexan-1-ol |
| Prediction Hob | 1.0 |
| Class | Prenol lipids |
| Xlogp | 3.0 |
| Superclass | Lipids and lipid-like molecules |
| Subclass | Monoterpenoids |
| Molecular Formula | C10H18O |
| Prediction Swissadme | 1.0 |
| Inchi Key | ZYTMANIQRDEHIO-UHFFFAOYSA-N |
| Fcsp3 | 0.8 |
| Logs | -2.444 |
| Rotatable Bond Count | 1.0 |
| Logd | 2.873 |
| Synonyms | 1-Methyl-4-isopropenylcyclohexan-3-ol, 2-Isopropenyl-5-methylcyclohexanol, 5-Methyl-2-(1-methylethenyl)-cyclohexanol, 5-Methyl-2-(1-methylethenyl)cyclohexanol, 9CI, 5-Methyl-2-(1-methylvinyl)cyclohexan-1-ol, 8(9)-p-Menthen-3-ol, Cyclohexanol, 5-methyl-2-(1-methylethenyl)-, FEMA 2962, p-8(9)-Menthen-3-ol, 5-Methyl-2-(1-methylethenyl)cyclohexanol, 9ci, 8(9)-P-Menthen-3-ol, P-8(9)-Menthen-3-ol, Isopulegol |
| Compound Name | Cyclohexanol, 5-methyl-2-(1-methylethenyl)- |
| Kingdom | Organic compounds |
| Prediction Hob Swissadme | 1.0 |
| Exact Mass | 154.136 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 154.136 |
| Hydrogen Bond Acceptor Count | 1.0 |
| Molecular Weight | 154.25 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 3.0 |
| Total Bond Stereocenter Count | 0.0 |
| Molecular Framework | Aliphatic homomonocyclic compounds |
| Esol | -2.5888686000000005 |
| Inchi | InChI=1S/C10H18O/c1-7(2)9-5-4-8(3)6-10(9)11/h8-11H,1,4-6H2,2-3H3 |
| Smiles | CC1CCC(C(C1)O)C(=C)C |
| Nring | 1.0 |
| Defined Bond Stereocenter Count | 0.0 |
| Taxonomy Direct Parent | Menthane monoterpenoids |
- 1. Outgoing r'ship
FOUND_INto/from Corymbia Citriodora (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 2. Outgoing r'ship
FOUND_INto/from Eucalyptus Citriodora (Plant) Rel Props:Source_db:npass_chem_all - 3. Outgoing r'ship
FOUND_INto/from Litsea Cubeba (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 4. Outgoing r'ship
FOUND_INto/from Mentha Arvensis (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 5. Outgoing r'ship
FOUND_INto/from Mentha Canadensis (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 6. Outgoing r'ship
FOUND_INto/from Mentha Rotundifolia (Plant) Rel Props:Source_db:npass_chem_all - 7. Outgoing r'ship
FOUND_INto/from Panax Ginseng (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 8. Outgoing r'ship
FOUND_INto/from Piper Cubeba (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 9. Outgoing r'ship
FOUND_INto/from Zanthoxylum Bungeanum (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 10. Outgoing r'ship
FOUND_INto/from Zanthoxylum Piperitum (Plant) Rel Props:Source_db:npass_chem_all - 11. Outgoing r'ship
FOUND_INto/from Zanthoxylum Schinifolium (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all