Bisabolol
Properties
- Molecular formula
- C15H26O
- Molar mass
- 222.37 g/mol
- Exact mass
- 222.1984 Da
- Density
- 0.9216 g/mL (at 18 °C)
- Melting point
- below 25 °C
- Boiling point
- 156 °C
- logP
- 4.23Crippen estimate
- Polar surface area
- 20.2 Ų
- H-bond donors / acceptors
- 1 / 1
- Rotatable bonds
- 4
- Stereocentres
- R, Rin SMILES atom order
Hazards
No GHS classification is on file for this compound. That is not evidence that it is harmless. Search the SDS library
Identifiers
CAS number
515-69-5SMILES
CC(C)=CCC[C@@](C)(O)[C@H]1CC=C(C)CC1InChIKey
RGZSQWQPBWRIAQ-PVRQQBJHNA-NInChI
InChI=1/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+/s2Weigh it out
Type any one amount. The others follow from the molar mass and density.
Names and synonyms
12 names
- 3-Cyclohexene-1-methanol, α,4-dimethyl-α-(4-methyl-3-penten-1-yl)-, (αR,1R)-rel-
- 5-Hepten-2-ol, 6-methyl-2-(4-methyl-3-cyclohexen-1-yl)-
- 3-Cyclohexene-1-methanol, α,4-dimethyl-α-(4-methyl-3-pentenyl)-, (R*,R*)-
- 3-Cyclohexene-1-methanol, α,4-dimethyl-α-(4-methyl-3-pentenyl)-, (αR,1R)-rel-
- Rel-(αR,1R)-α,4-Dimethyl-α-(4-methyl-3-penten-1-yl)-3-cyclohexene-1-methanol
- α-Bisabolol
- Dl-α-Bisabolol
- Dragosantol
- (±)-α-Bisabolol
- Hydagen B
- Camilol
- Dragosantol 100
Work with Bisabolol
Predict the NMR spectrum1H and 13C shifts with multiplicities
Make a solutionWhat to weigh for any molarity and volume
Check drug-likenessLipinski, Veber and lead-likeness
Boiling point under vacuumAt any pressure, from its normal boiling point
Isotope patternExact mass and the mass spectrum pattern
Stereoisomers, salts and isotopologues
The same compound in another form: other stereochemistry, a salt or hydrate, the free acid or base, or an isotope-labelled version.
Similar compounds
(-)-α-Terpineol10482-56-155 % similar
Terpineol98-55-555 % similar
Grapefruit mercaptan71159-90-549 % similar
Geranyllinalool1113-21-944 % similar
(±)-α-Terpinyl acetate80-26-242 % similar
Dihydrolinalool18479-51-139 % similar
Squalene111-02-438 % similar
Squalene7683-64-938 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds