(2S,5R)-2-Hydroxy-2-methyl-5-(1-methylethenyl)cyclohexanone
Basic information
- CAS
24047-73-2- Standard SMILES
C=C(C)[C@@H]1CC[C@](C)(O)C(=O)C1- InChIKey
JEQLRDRDFLXSHY-SCZZXKLOSA-N- Molecular formula
- C10H16O2
- Average molar mass
- 168.23 g/mol
- Monoisotopic mass
- 168.11502975
Overview
(1S,4R)-1-hydroxylimonen-2-one is an optically active form of 1-hydroxylimonen-2-one having (1S,4R)-configuration. It is an enantiomer of a (1R,4S)-1-hydroxylimonen-2-one.
Names & identifiers
- Preferred name
- (2S,5R)-2-Hydroxy-2-methyl-5-(1-methylethenyl)cyclohexanone
- IUPAC
- trans-(2S,5R)-2-hydroxy-2-methyl-5-prop-1-en-2-ylcyclohexan-1-one
Names & synonyms
(1S,4R)-1-Hydroxy-2-oxolimonene24047-73-2DTXSID40332115(2S,5R)-2-hydroxy-2-methyl-5-prop-1-en-2-ylcyclohexan-1-oneRefChem:1050016DTXCID90283209(2S,5R)-2-Hydroxy-2-methyl-5-(1-methylethenyl)cyclohexanone(1S,4R)-1-hydroxymenth-8-en-2-one(1S,4R)-1-hydroxylimonen-2-oneSCHEMBL2932755CHEBI:38249(2S,5R)-2-hydroxy-2-methyl-5-(prop-1-en-2-yl)cyclohexan-1-one
Show more names
LMPR0102090042(1S,4R)-1-hydroxy-p-menth-8-en-2-oneQ27104438
Database identifiers
- CAS
24047-73-2- PubChem CID
- 443522
- DTXSID
DTXSID40332115- ChEBI
CHEBI:38249- Nikkaji
- J1.121.167D
Properties
Computed structural properties
- XLogP
- 1.6
- Topological polar surface area
- 37.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 1
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 220
Experimental & physicochemical properties
LipidsLipids -> Prenol Lipids [PR] -> Isoprenoids [PR01] -> C10 isoprenoids (monoterpenes) [PR0102]
Suppliers
Loading…
Open inquiries
Loading…
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…