1-Methyl-4-(1-methylvinyl)cyclohexan-1-ol
PubChem CID: 8748
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| Compound Synonyms | BETA-TERPINEOL, 138-87-4, cis-beta-Terpineol, trans-beta-Terpineol, p-Menth-8-en-1-ol, Cyclohexanol, 1-methyl-4-(1-methylethenyl)-, trans-, A-Terpineol, 1-Methyl-4-(1-methylethenyl)cyclohexanol, cis-.beta.-Terpineol, 1-Methyl-4-(1-methylvinyl)cyclohexan-1-ol, trans-.beta.-terpineol, 1-Methyl-4-isopropenylcyclohexan-1-ol, 4-Isopropenyl-1-methyl-1-cyclohexanol, 1-methyl-4-(prop-1-en-2-yl)cyclohexan-1-ol, 7299-40-3, 4-Isopropenyl-1-methylcyclohexanol, cis-, A-Terpineol, (E)-beta-Terpineol, 7299-41-4, Cyclohexanol, 1-methyl-4-(1-methylethenyl)-, trans-, 1-methyl-4-prop-1-en-2-ylcyclohexan-1-ol, Terpineol, cis-.beta.-, Cyclohexanol, 1-methyl-4-(1-methylethenyl)-, cis-, S00R85C5ER, DTXSID7041209, 55258Z4SCW, p-Menth-8-en-1-ol, stereoisomer, Terpinol, beta-, t-Menth-1-en-8-ol, b-terpineol, FEMA No. 3564, beta-Terpineol, cis-, beta-Terpineol, trans-, EINECS 205-342-6, UNII-XS86XKC2VT, BRN 2205072, UNII-S00R85C5ER, beta-Terpinol, UNII-55258Z4SCW, beta -terpineol, AI3-00731, 4-isopropenyl-1-methyl-cyclohexanol, cis-I(2)-Terpineol, trans-I(2)-Terpineol, (E)-.beta.-terpineol, (Z)-.beta.-Terpineol, XS86XKC2VT, cis-p-Menth-8-en-1-ol, trans-p-Menth-8-en-1-ol, P-menth-8-en-1-ol, cis, 4-06-00-00254 (Beilstein Handbook Reference), SCHEMBL1245775, .BETA.-TERPINEOL, CIS-, CHEMBL3184678, DTXCID5021209, SCHEMBL13895789, SCHEMBL14278527, SCHEMBL22882350, FEMA 3564, .BETA.-TERPINEOL, TRANS-, CHEBI:132899, DTXSID201317014, DTXSID301316364, Tox21_302378, MFCD00037724, AKOS006282035, HY-119963A, HY-119963B, 4-Isopropenyl-1-methylcyclohexanol, cis, NCGC00255487-01, CAS-138-87-4, DA-69594, DA-78581, 1-methyl-4-(prop-1-en-2-yl)cyclohexanol, 1-Methyl-4-(1-Methylethenyl)-cyclohexanol, 4-Isopropenyl-1-methylcyclohexanol, trans-, DB-243107, CS-0089116, CS-0089118, NS00012934, C17517, 1-Methyl-4-(1-methylethenyl)-trans-Cyclohexanol, 1beta-Methyl-4alpha-(1-methylethenyl)cyclohexanol, TERPIN MONOHYDRATE IMPURITY B [EP IMPURITY], Q27261256, Q27288363, Q67880219, Rel-(1r,4r)-1-methyl-4-(prop-1-en-2-yl)cyclohexan-1-ol, (1S,4S)-1-METHYL-4-(PROP-1-EN-2-YL)CYCLOHEXAN-1-OL, 844-907-7 |
|---|---|
| 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 |
| Np Classifier Class | Menthane monoterpenoids, Monocyclic monoterpenoids |
| Deep Smiles | CC=C)CCCCCC6))C)O |
| Heavy Atom Count | 11.0 |
| Classyfire Class | Prenol lipids |
| Description | Terpineol is a naturally occurring monoterpene alcohol that has been isolated from a variety of sources such as cajuput oil, pine oil, and petitgrain oil. There are three isomers, alpha-, beta-, and gamma-terpineol, the last two differing only by the location of the double bond. Terpineol is usually a mixture of these isomers with alpha-terpineol as the major constituent. trans-beta-Terpineol is found in rosemary. |
| Scaffold Graph Node Level | C1CCCCC1 |
| Classyfire Subclass | Monoterpenoids |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 152.0 |
| Database Name | cmaup_ingredients;fooddb_chem_all;imppat_phytochem;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Uniprot Id | Q03181 |
| Iupac Name | 1-methyl-4-prop-1-en-2-ylcyclohexan-1-ol |
| Prediction Hob | 1.0 |
| Class | Prenol lipids |
| Veber Rule | True |
| Classyfire Superclass | Lipids and lipid-like molecules |
| Xlogp | 2.5 |
| Superclass | Lipids and lipid-like molecules |
| Subclass | Monoterpenoids |
| Gsk 4 400 Rule | True |
| Molecular Formula | C10H18O |
| Scaffold Graph Node Bond Level | C1CCCCC1 |
| Prediction Swissadme | 1.0 |
| Inchi Key | RUJPNZNXGCHGID-UHFFFAOYSA-N |
| Silicos It Class | Soluble |
| Fcsp3 | 0.8 |
| Logs | -2.033 |
| Rotatable Bond Count | 1.0 |
| Logd | 2.044 |
| Synonyms | (E)-beta-Terpineol, 1-Methyl-4-(1-methylethenyl)-trans-cyclohexanol, Cyclohexanol, 1-methyl-4-(1-methylethenyl)-, trans-, p-Menth-8-en-1-ol, trans-form, trans-beta-Terpineol, trans-P-Menth-8-en-1-ol, &beta, -terpineol, 1-Methyl-4-(1-Methylethenyl)-cyclohexanol, 1-Methyl-4-(1-methylethenyl)cyclohexanol, 1-Methyl-4-(1-methylvinyl)cyclohexan-1-ol, 1-Methyl-4-isopropenylcyclohexan-1-ol, 4-Isopropenyl-1-methyl-1-cyclohexanol, 4-Isopropenyl-1-methylcyclohexanol, b-Terpineol, beta -Terpineol, beta-Terpineol, Cyclohexanol, 1-methyl-4-(1-methylethenyl)-, FEMA 3564, (Z)-&beta, -Terpineol, (Z)-beta-Terpineol, cis-&beta, -Tterpineol, cis-beta-Tterpineol, cis-p-Menth-8-en-1-ol, p-Menth-8-en-1-ol, cis-form, Terpineol, cis-&beta, -, (e)-beta-terpineol, beta terpineol, beta-terpineol, beta-terpineol*, cis- β -terpineol, cis-beta-terpineol, cis-β-terpineol, p -menth-8-en-1-ol, terpineol, beta, terpineol, beta, cis, terpineol<cis-beta->, trans-beta-terpineol, z-beta-terpineol, β- terpineol, β-terpineol, β-terpineol * |
| Substituent Name | Menthane monoterpenoid, Monocyclic monoterpenoid, Cyclohexanol, Tertiary alcohol, Cyclic alcohol, Hydrocarbon derivative, Organooxygen compound, Alcohol, Aliphatic homomonocyclic compound |
| Esol Class | Soluble |
| Functional Groups | C=C(C)C, CO |
| Compound Name | 1-Methyl-4-(1-methylvinyl)cyclohexan-1-ol |
| 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 |
| Gi Absorption | True |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Lipinski Rule Of 5 | True |
| Esol | -2.3179686000000004 |
| Inchi | InChI=1S/C10H18O/c1-8(2)9-4-6-10(3,11)7-5-9/h9,11H,1,4-7H2,2-3H3 |
| Smiles | CC(=C)C1CCC(CC1)(C)O |
| Nring | 1.0 |
| Np Classifier Biosynthetic Pathway | Terpenoids |
| Defined Bond Stereocenter Count | 0.0 |
| Egan Rule | True |
| Np Classifier Superclass | Monoterpenoids |
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