2-Cyclohexen-1-one, 6-(1-hydroxy-1,5-dimethyl-4-hexenyl)-, (R*,R*)-(+-)-
Basic information
- CAS
115655-93-1- Standard SMILES
CC(C)=CCC[C@@](C)(O)[C@H]1CCC=CC1=O- InChIKey
NTVZQKWOVUUDMC-GXTWGEPZSA-N- Molecular formula
- C14H22O2
- Average molar mass
- 222.32 g/mol
- Monoisotopic mass
- 222.16197994
Names & identifiers
- Preferred name
- 2-Cyclohexen-1-one, 6-(1-hydroxy-1,5-dimethyl-4-hexenyl)-, (R*,R*)-(+-)-
- IUPAC
- (6R)-6-[(2R)-2-hydroxy-6-methylhept-5-en-2-yl]cyclohex-2-en-1-one
Names & synonyms
3-Desmethylhernandulcin115655-93-1CCRIS 10292-Cyclohexen-1-one, 6-(1-hydroxy-1,5-dimethyl-4-hexenyl)-, (R*,R*)-(+-)-DTXSID60921782(6R)-6-[(2R)-2-hydroxy-6-methylhept-5-en-2-yl]cyclohex-2-en-1-one6-(2-hydroxy-6-methylhept-5-en-2-yl)cyclohex-2-en-1-one
Database identifiers
- CAS
115655-93-1- PubChem CID
- 154197
- DTXSID
DTXSID60921782
Properties
Computed structural properties
- XLogP
- 3.4
- Topological polar surface area
- 37.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 4
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 311
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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