Cyclohexaneethanol, beta,4-dimethyl-, cis-
PubChem CID: 346868
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| Compound Synonyms | p-Menthan-9-ol, cis-, p-Menthan-9-ol, trans-, 9-p-Menthol, NSC405221, p-Menthan-9-ol, cis, Cyclohexaneethanol, .beta.,4-dimethyl-, cis-, Cyclohexaneethanol, .beta.,4-dimethyl-, trans-, 5113-95-1, SCHEMBL1270592, GOKHLKYATMBASR-NSSRYZTPSA-N, GOKHLKYATMBASR-YJFOWTTDSA-N, DTXSID201016383, NSC-405221, 2-(4-Methylcyclohexyl)-1-propanol, (E)-, 2-(4-Methylcyclohexyl)-1-propanol, (Z)- |
|---|---|
| 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 | OCCCCCCCC6))C)))))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 | 103.0 |
| Database Name | imppat_phytochem;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 2-(4-methylcyclohexyl)propan-1-ol |
| Veber Rule | True |
| Classyfire Superclass | Lipids and lipid-like molecules |
| Xlogp | 3.3 |
| Gsk 4 400 Rule | True |
| Molecular Formula | C10H20O |
| Scaffold Graph Node Bond Level | C1CCCCC1 |
| Inchi Key | GOKHLKYATMBASR-UHFFFAOYSA-N |
| Silicos It Class | Soluble |
| Rotatable Bond Count | 2.0 |
| Synonyms | artemisol |
| Esol Class | Soluble |
| Functional Groups | CO |
| Compound Name | Cyclohexaneethanol, beta,4-dimethyl-, cis- |
| 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 | 1.0 |
| Total Bond Stereocenter Count | 0.0 |
| Lipinski Rule Of 5 | True |
| Inchi | InChI=1S/C10H20O/c1-8-3-5-10(6-4-8)9(2)7-11/h8-11H,3-7H2,1-2H3 |
| Smiles | CC1CCC(CC1)C(C)CO |
| Np Classifier Biosynthetic Pathway | Terpenoids |
| Defined Bond Stereocenter Count | 0.0 |
| Egan Rule | True |
| Np Classifier Superclass | Monoterpenoids |
- 1. Outgoing r'ship
FOUND_INto/from Artemisia Scoparia (Plant) Rel Props:Reference:ISBN:9788172360481 - 2. Outgoing r'ship
FOUND_INto/from Artemisia Vestita (Plant) Rel Props:Reference:ISBN:9780387706375; ISBN:9788172360481