2-Cyclohexen-1-one, 3-hydroxy-5-methyl-
Basic information
- CAS
70150-66-2- Standard SMILES
CC1CC(=O)C=C(O)C1- InChIKey
MNOUUYHZNVGKSQ-UHFFFAOYSA-N- Molecular formula
- C7H10O2
- Average molar mass
- 126.15 g/mol
- Monoisotopic mass
- 126.06807956
Names & identifiers
- Preferred name
- 2-Cyclohexen-1-one, 3-hydroxy-5-methyl-
- IUPAC
- 3-hydroxy-5-methylcyclohex-2-en-1-one
Names & synonyms
3-hydroxy-5-methylcyclohex-2-en-1-one2-Cyclohexen-1-one, 3-hydroxy-5-methyl-5-methyl-3-hydroxycyclohex-2-enone70150-66-2SCHEMBL14609061DTXSID30330342InChI=1/C7H10O2/c1-5-2-6(8)4-7(9)3-5/h4-5,8H,2-3H2,1H
Database identifiers
- CAS
70150-66-2- PubChem CID
- 429063
- DTXSID
DTXSID30330342- Nikkaji
- J367.118F
Properties
Computed structural properties
- XLogP
- 0.7
- Topological polar surface area
- 37.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 0
- Heavy atoms
- 9
- Formal charge
- 0
- Complexity
- 158
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Compound notes
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