(7,7-Dimethylbicyclo[4.1.0]hept-2-en-3-yl)methanol
PubChem CID: 9834009
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| Compound Synonyms | 2-Caren-10-ol, 6909-19-9, (7,7-Dimethylbicyclo[4.1.0]hept-2-en-3-yl)methanol, (7,7-dimethyl-3-bicyclo[4.1.0]hept-2-enyl)methanol, {7,7-DIMETHYLBICYCLO[4.1.0]HEPT-2-EN-3-YL}METHANOL, SCHEMBL1071437, GAA90919, AKOS022184705, DB-338278 |
|---|---|
| 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 | OCC=CCCCC6))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 | 203.0 |
| Database Name | imppat_phytochem;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | (7,7-dimethyl-3-bicyclo[4.1.0]hept-2-enyl)methanol |
| Veber Rule | True |
| Classyfire Superclass | Lipids and lipid-like molecules |
| Xlogp | 1.6 |
| Gsk 4 400 Rule | True |
| Molecular Formula | C10H16O |
| Scaffold Graph Node Bond Level | C1=CC2CC2CC1 |
| Inchi Key | NATPOHWVZBGQEV-UHFFFAOYSA-N |
| Silicos It Class | Soluble |
| Rotatable Bond Count | 1.0 |
| Synonyms | 2-caren-10-ol |
| Esol Class | Very soluble |
| Functional Groups | CC=C(C)C, CO |
| Compound Name | (7,7-Dimethylbicyclo[4.1.0]hept-2-en-3-yl)methanol |
| Exact Mass | 152.12 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 152.12 |
| Hydrogen Bond Acceptor Count | 1.0 |
| Molecular Weight | 152.23 |
| 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/C10H16O/c1-10(2)8-4-3-7(6-11)5-9(8)10/h5,8-9,11H,3-4,6H2,1-2H3 |
| Smiles | CC1(C2C1C=C(CC2)CO)C |
| 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 Cuminum Cyminum (Plant) Rel Props:Reference:https://doi.org/10.1080/10412905.2016.1212738