Alpha-Bisabolol
Representations & DB's id
| ||
| ChEBI: | CHEBI:125 | |
|---|---|---|
| ChEMBL: | CHEMBL1096927 | |
| PubChem: | 442343 | |
| IUPAC: | (2S)-6-methyl-2-[(1S)-4-methylcyclohex-3-en-1-yl]hept-5-en-2-ol | |
| Standard InChI: | InChI=1S/C15H26O/c1-12(2)6-5-11-15(4,16)14-9-7-13(3)8-10-14/h6-7,14,16H,5,8-11H2,1-4H3/t14-,15+/m1/s1 | |
| Standard InChI Key: | RGZSQWQPBWRIAQ-CABCVRRESA-N | |
| SMILES: | CC(=CCC[C@@]([C@H]1CCC(=CC1)C)(O)C)C | |
Molecular propeties
| ||
| AlogP: | 4.23 | |
|---|---|---|
| Hydrogen bonds acceptors: | 1 | |
| Hydrogen bonds donors: | 1 | |
| Rotatable bonds: | 4 | |
| Number of rings: | 1 | |
| Molecular Weight: | 222.2 | |
| Topological polar surface area: | 20.2 | |
| Number of aromatic rings: | 0 | |
| Fsp3: | 0.733 | |
| Number of carbons: | 15 | |