3,7,7-Trimethylbicyclo[4.1.0]heptan-3-ol
PubChem CID: 142315
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| Compound Synonyms | beta-Caran-3-ol, alpha-Caran-3-ol, 3,7,7-Trimethylbicyclo[4.1.0]heptan-3-ol, (1R*,3R*,6S*)-3-Caranol, 38748-97-9, 3-Caranol, (1S,3S,6R)-(+)-3-Caranol, 3-Caraneol, (+)-Caran-3.beta.-ol, SCHEMBL10406348, DTXSID20959561, ZOKKRMIFZVQTTP-UHFFFAOYSA-N, (1S,3R,6R)-(+)-3-Caranol, Bicyclo[4.1.0]heptan-3-ol, 3,7,7-trimethyl-, [1S-(1.alpha.,3.beta.,6.alpha.)]-, 3-Caranol, (1S,3S,6R)-(+)-, 54631-17-3, Bicyclo[4.1.0]heptan-3-ol, 3,7,7-trimethyl-, (1S,3S,6R)-, 3,7,7-Trimethylbicyclo[4.1.0]heptan-3-ol-, [1S-(1.alpha.,3.beta.,6.alpha.)]- |
|---|---|
| Topological Polar Surface Area | 20.2 |
| Hydrogen Bond Donor Count | 1.0 |
| Heavy Atom Count | 11.0 |
| Description | Constituent of Zingiber officinale (ginger). (1R*,3R*,6S*)-3-Caranol is found in herbs and spices. |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 185.0 |
| Database Name | cmaup_ingredients;fooddb_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 3,7,7-trimethylbicyclo[4.1.0]heptan-3-ol |
| Nih Violation | False |
| Prediction Hob | 1.0 |
| Xlogp | 2.1 |
| Is Pains | False |
| Molecular Formula | C10H18O |
| Prediction Swissadme | 0.0 |
| Inchi Key | ZOKKRMIFZVQTTP-UHFFFAOYSA-N |
| Fcsp3 | 1.0 |
| Rotatable Bond Count | 0.0 |
| Synonyms | (1S,3R,6R)-(+)-3-Caranol, (1S,3S,6R)-(+)-3-Caranol, 3-Caraneol, 3-Caranol, (1S,3R,6R)-(+)-, 3-Caranol, (1S,3S,6R)-(+)-, Alpha-caran-3-ol, Beta-caran-3-ol |
| Compound Name | 3,7,7-Trimethylbicyclo[4.1.0]heptan-3-ol |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 154.136 |
| Formal Charge | 0.0 |
| Brenk Violation | False |
| Monoisotopic Mass | 154.136 |
| Hydrogen Bond Acceptor Count | 1.0 |
| Molecular Weight | 154.25 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 3.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -2.1319686000000004 |
| Inchi | InChI=1S/C10H18O/c1-9(2)7-4-5-10(3,11)6-8(7)9/h7-8,11H,4-6H2,1-3H3 |
| Smiles | CC1(C2C1CC(CC2)(C)O)C |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Zingiber Officinale (Plant) Rel Props:Source_db:cmaup_ingredients