(1R,2R)-4-methyl-1-[(2R)-6-methylhept-5-en-2-yl]cyclohex-3-ene-1,2-diol
Basic information
- Standard SMILES
CC(C)=CCC[C@@H](C)[C@]1(O)CCC(C)=C[C@H]1O- InChIKey
XSCKUUHHFRRUMW-RBSFLKMASA-N- Molecular formula
- C15H26O2
- Average molar mass
- 238.37 g/mol
- Monoisotopic mass
- 238.19328007
Overview
(1R)-1-[(R)-1,5-Dimethyl-4-hexenyl]-4-methyl-3-cyclohexene-1alpha,2alpha-diol has been reported in Valeriana fauriei and Valeriana officinalis with data available.
Names & identifiers
- Preferred name
- (1R,2R)-4-methyl-1-[(2R)-6-methylhept-5-en-2-yl]cyclohex-3-ene-1,2-diol
- IUPAC
- (1R,2R)-4-methyl-1-[(2R)-6-methylhept-5-en-2-yl]cyclohex-3-ene-1,2-diol
Database identifiers
- Nikkaji
- J2.258.223B
Properties
Computed structural properties
- XLogP
- 2.9
- Topological polar surface area
- 40.5 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 4
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 313
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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