1-Cyclohexyl-1-(2-methylenecyclohexyl)ethanol
PubChem CID: 539416
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| Compound Synonyms | 1-Cyclohexyl-1-(2-methylenecyclohexyl)ethanol, KECDUJWBWIDGET-UHFFFAOYSA-N |
|---|---|
| Ghose Rule | True |
| Classyfire Kingdom | Organic compounds |
| Topological Polar Surface Area | 20.2 |
| Hydrogen Bond Donor Count | 1.0 |
| Pfizer 3 75 Rule | False |
| Scaffold Graph Level | CC1CCCCC1CC1CCCCC1 |
| Deep Smiles | C=CCCCCC6CCCCCCC6))))))O)C |
| Heavy Atom Count | 16.0 |
| Classyfire Class | Prenol lipids |
| Scaffold Graph Node Level | CC1CCCCC1CC1CCCCC1 |
| Classyfire Subclass | Monoterpenoids |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 252.0 |
| Database Name | imppat_phytochem;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 1-cyclohexyl-1-(2-methylidenecyclohexyl)ethanol |
| Veber Rule | True |
| Classyfire Superclass | Lipids and lipid-like molecules |
| Xlogp | 4.2 |
| Gsk 4 400 Rule | False |
| Molecular Formula | C15H26O |
| Scaffold Graph Node Bond Level | C=C1CCCCC1CC1CCCCC1 |
| Inchi Key | KECDUJWBWIDGET-UHFFFAOYSA-N |
| Silicos It Class | Soluble |
| Rotatable Bond Count | 2.0 |
| Synonyms | 1-cyclohexyl-1-(2-methylenecyclohexyl)ethanol |
| Esol Class | Soluble |
| Functional Groups | C=C(C)C, CO |
| Compound Name | 1-Cyclohexyl-1-(2-methylenecyclohexyl)ethanol |
| Exact Mass | 222.198 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 222.198 |
| Hydrogen Bond Acceptor Count | 1.0 |
| Molecular Weight | 222.37 |
| Gi Absorption | True |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 2.0 |
| Total Bond Stereocenter Count | 0.0 |
| Lipinski Rule Of 5 | True |
| Inchi | InChI=1S/C15H26O/c1-12-8-6-7-11-14(12)15(2,16)13-9-4-3-5-10-13/h13-14,16H,1,3-11H2,2H3 |
| Smiles | CC(C1CCCCC1)(C2CCCCC2=C)O |
| Defined Bond Stereocenter Count | 0.0 |
| Egan Rule | True |
- 1. Outgoing r'ship
FOUND_INto/from Nepeta Nuda (Plant) Rel Props:Reference:https://doi.org/10.1080/0972060x.2017.1407678