Bicyclo[4.1.0]heptan-2-ol, 4,7,7-trimethyl-
PubChem CID: 564727
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| Compound Synonyms | Bicyclo[4.1.0]heptan-2-ol, 4,7,7-trimethyl-, 94073-09-3, 5-Caranol, (1S,3R,5S,6R)-(-)-, 4,7,7-Trimethylbicyclo[4.1.0]heptan-2-ol, trans-5-caranol, SCHEMBL12166738, DTXSID30340446, CHEBI:167337, NZERPKAXZIGFLL-UHFFFAOYSA-N, 4,7,7-Trimethylbicyclo[4.1.0]heptan-2-ol # |
|---|---|
| Topological Polar Surface Area | 20.2 |
| Hydrogen Bond Donor Count | 1.0 |
| Heavy Atom Count | 11.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 174.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 4,7,7-trimethylbicyclo[4.1.0]heptan-2-ol |
| Prediction Hob | 1.0 |
| Xlogp | 2.6 |
| Molecular Formula | C10H18O |
| Prediction Swissadme | 0.0 |
| Inchi Key | NZERPKAXZIGFLL-UHFFFAOYSA-N |
| Fcsp3 | 1.0 |
| Logs | -3.128 |
| Rotatable Bond Count | 0.0 |
| Logd | 3.265 |
| Compound Name | Bicyclo[4.1.0]heptan-2-ol, 4,7,7-trimethyl- |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 154.136 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 154.136 |
| Hydrogen Bond Acceptor Count | 1.0 |
| Molecular Weight | 154.25 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 4.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -2.4028685999999997 |
| Inchi | InChI=1S/C10H18O/c1-6-4-7-9(8(11)5-6)10(7,2)3/h6-9,11H,4-5H2,1-3H3 |
| Smiles | CC1CC2C(C2(C)C)C(C1)O |
| Nring | 2.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Mentha Arvensis (Plant) Rel Props:Source_db:cmaup_ingredients - 2. Outgoing r'ship
FOUND_INto/from Mentha Canadensis (Plant) Rel Props:Source_db:cmaup_ingredients