Basic information
- Standard SMILES
CC[C@@](C)(O)[C@@H]1CC=C(C)[C@@H](O)[C@@H]1C=C(C)C- InChIKey
CJDZRSPYLGEJSX-KBUPBQIOSA-N- Molecular formula
- C15H26O2
- Average molar mass
- 238.37 g/mol
- Monoisotopic mass
- 238.19328007
Overview
(1S,5R,6R)-5-[(2R)-2-hydroxybutan-2-yl]-2-methyl-6-(2-methylprop-1-enyl)cyclohex-2-en-1-ol has been reported in Commiphora myrrha with data available.
Names & identifiers
- Preferred name
- (1S,5R,6R)-5-[(2R)-2-hydroxybutan-2-yl]-2-methyl-6-(2-methylprop-1-enyl)cyclohex-2-en-1-ol
- IUPAC
- (1S,5R,6R)-5-[(2R)-2-hydroxybutan-2-yl]-2-methyl-6-(2-methylprop-1-enyl)cyclohex-2-en-1-ol
Properties
Computed structural properties
- XLogP
- 2.7
- Topological polar surface area
- 40.5 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 3
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 326
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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