Isomenthol, (+)-
PubChem CID: 45056
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| Compound Synonyms | (+)-Isomenthol, 23283-97-8, D-Isomenthol, Isomenthol, (+)-, Cyclohexanol, 5-methyl-2-(1-methylethyl)-, (1S,2R,5R)-, RCZ2YJZ08S, (1S,2R,5R)-(+)-Isomenthol, (1S,2R,5R)-5-methyl-2-propan-2-ylcyclohexan-1-ol, ISOMENTHOL, D-, MENTHOL, trans-1,3,cis-1,4-, (+)-, (1S,2R,5R)-2-Isopropyl-5-methylcyclohexanol, EINECS 245-554-6, DTXSID00885233, MFCD00062984, 63903-52-6, MENTHOL, (1R,3S,4R)-(+)-, Cyclohexanol, 5-methyl-2-(1-methylethyl)-, (1S-(1alpha,2beta,5beta))-, CYCLOHEXANOL, 5-METHYL-2-(1-METHYLETHYL)-, (1S-(1.ALPHA.,2.BETA.,5.BETA.))-, Cyclohexanol, 5-methyl-2-(1-methylethyl)-, [1S-(1.alpha.,2.beta.,5.beta.)]-, 89-78-1, UNII-RCZ2YJZ08S, DL-Menthol ,(S), SCHEMBL677675, CHEMBL1907990, DTXCID701024626, (1S-(1alpha,2beta,5beta))-5-Methyl-(1-isopropyl)cyclohexan-2-ol, AKOS007929949, FI180065, CS-0133869, NS00114003, EN300-133570, G77755, (1S,2R,5R)-(+)-Isomenthol, analytical standard, Q27288059, (1S,2R,5R)-5-methyl-2-(propan-2-yl)cyclohexan-1-ol, Z1201618593, (1S,2R,5R)-2-ISOPROPYL-5-METHYLCYCLOHEXAN-1-OL, (1S,2R,5R)-5-METHYL-2-(1-METHYLETHYL)CYCLOHEXANOL, (1S,2R,5R)-(+)-Isomenthol, primary pharmaceutical reference standard |
|---|---|
| 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 | C[C@@H]CC[C@@H][C@H]C6)O))CC)C |
| Heavy Atom Count | 11.0 |
| Classyfire Class | Prenol lipids |
| Scaffold Graph Node Level | C1CCCCC1 |
| Classyfire Subclass | Monoterpenoids |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 120.0 |
| Database Name | imppat_phytochem;pubchem |
| Defined Atom Stereocenter Count | 3.0 |
| Iupac Name | (1S,2R,5R)-5-methyl-2-propan-2-ylcyclohexan-1-ol |
| Veber Rule | True |
| Classyfire Superclass | Lipids and lipid-like molecules |
| Xlogp | 3.0 |
| Gsk 4 400 Rule | True |
| Molecular Formula | C10H20O |
| Scaffold Graph Node Bond Level | C1CCCCC1 |
| Inchi Key | NOOLISFMXDJSKH-BBBLOLIVSA-N |
| Silicos It Class | Soluble |
| Rotatable Bond Count | 1.0 |
| Synonyms | isomenthol |
| Esol Class | Soluble |
| Functional Groups | CO |
| Compound Name | Isomenthol, (+)- |
| Exact Mass | 156.151 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 156.151 |
| Hydrogen Bond Acceptor Count | 1.0 |
| Molecular Weight | 156.26 |
| Gi Absorption | True |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 3.0 |
| Total Bond Stereocenter Count | 0.0 |
| Lipinski Rule Of 5 | True |
| Inchi | InChI=1S/C10H20O/c1-7(2)9-5-4-8(3)6-10(9)11/h7-11H,4-6H2,1-3H3/t8-,9-,10+/m1/s1 |
| Smiles | C[C@@H]1CC[C@@H]([C@H](C1)O)C(C)C |
| Np Classifier Biosynthetic Pathway | Terpenoids |
| Defined Bond Stereocenter Count | 0.0 |
| Egan Rule | True |
| Np Classifier Superclass | Monoterpenoids |
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