(Z)-Bisabol-11-ol
PubChem CID: 91750291
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| Compound Synonyms | (Z)-Bisabol-11-ol, AXLLSNSRONSXGV-MLPAPPSSSA-N |
|---|---|
| Topological Polar Surface Area | 20.2 |
| Hydrogen Bond Donor Count | 1.0 |
| Heavy Atom Count | 16.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 284.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | (Z)-2-methyl-6-(4-methylcyclohex-3-en-1-yl)hept-5-en-2-ol |
| Prediction Hob | 1.0 |
| Xlogp | 3.8 |
| Molecular Formula | C15H26O |
| Prediction Swissadme | 1.0 |
| Inchi Key | AXLLSNSRONSXGV-MLPAPPSSSA-N |
| Fcsp3 | 0.7333333333333333 |
| Logs | -3.983 |
| Rotatable Bond Count | 4.0 |
| Logd | 3.421 |
| Compound Name | (Z)-Bisabol-11-ol |
| Prediction Hob Swissadme | 1.0 |
| Exact Mass | 222.198 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 222.198 |
| Hydrogen Bond Acceptor Count | 1.0 |
| Molecular Weight | 222.37 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 1.0 |
| Total Bond Stereocenter Count | 1.0 |
| Esol | -4.098406399999999 |
| Inchi | InChI=1S/C15H26O/c1-12-7-9-14(10-8-12)13(2)6-5-11-15(3,4)16/h6-7,14,16H,5,8-11H2,1-4H3/b13-6- |
| Smiles | CC1=CCC(CC1)/C(=C\CCC(C)(C)O)/C |
| Nring | 1.0 |
| Defined Bond Stereocenter Count | 1.0 |
- 1. Outgoing r'ship
FOUND_INto/from Daucus Carota (Plant) Rel Props:Source_db:cmaup_ingredients