4,7,7-Trimethylbicyclo[4.1.0]heptan-3-ol
PubChem CID: 86056
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| Compound Synonyms | 4-Caranol, 4,7,7-Trimethylbicyclo[4.1.0]heptan-3-ol, 16725-98-7, 4,7,7-Trimethylbicyclo(4.1.0)heptan-3-ol, 54750-09-3, 5-Caranol, 52486-23-4, EINECS 240-781-7, EINECS 257-951-1, EINECS 259-321-1, NSC146237, SCHEMBL9370530, DTXSID30937299, (1alpha,3alpha,4alpha,6alpha)-4,7,7-Trimethylbicyclo(4.1.0)heptan-3-ol, (1alpha,3beta,4alpha,6alpha)-4,7,7-Trimethylbicyclo(4.1.0)heptan-3-ol, NSC 146237, NSC-146237, NS00083200, Bicyclo[4.1.0]heptan-4-ol,7,7-trimethyl-, 4,7,7-Trimethylbicyclo[4.1.0]heptan-3-ol, (1.alpha.,3.alpha.,4.alpha.,6.alpha.)-, Bicyclo[4.1.0]heptan-3-ol, 4,7,7-trimethyl-, (1.alpha.,3.alpha.,4.alpha.,6.alpha.)-, Bicyclo[4.1.0]heptan-3-ol, 4,7,7-trimethyl-, (1.alpha.,3.beta.,4.alpha.,6.alpha.)- |
|---|---|
| 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 | C1CCC2CC2C1 |
| Np Classifier Class | Carane monoterpenoids |
| Deep Smiles | CCCCCCC6O)))C3C)C |
| Heavy Atom Count | 11.0 |
| Classyfire Class | Prenol lipids |
| Scaffold Graph Node Level | C1CCC2CC2C1 |
| Classyfire Subclass | Monoterpenoids |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 174.0 |
| Database Name | imppat_phytochem;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 4,7,7-trimethylbicyclo[4.1.0]heptan-3-ol |
| Veber Rule | True |
| Classyfire Superclass | Lipids and lipid-like molecules |
| Xlogp | 2.4 |
| Gsk 4 400 Rule | True |
| Molecular Formula | C10H18O |
| Scaffold Graph Node Bond Level | C1CCC2CC2C1 |
| Inchi Key | WHXOMZVLSNHION-UHFFFAOYSA-N |
| Silicos It Class | Soluble |
| Rotatable Bond Count | 0.0 |
| Synonyms | 5-caranol |
| Esol Class | Soluble |
| Functional Groups | CO |
| Compound Name | 4,7,7-Trimethylbicyclo[4.1.0]heptan-3-ol |
| 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 | 4.0 |
| Total Bond Stereocenter Count | 0.0 |
| Lipinski Rule Of 5 | True |
| Inchi | InChI=1S/C10H18O/c1-6-4-7-8(5-9(6)11)10(7,2)3/h6-9,11H,4-5H2,1-3H3 |
| Smiles | CC1CC2C(C2(C)C)CC1O |
| 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 Hyptis Suaveolens (Plant) Rel Props:Reference:https://doi.org/10.1080/0972060x.2008.10643644