2-Cyclohexen-1-one, 3-hydroxy-5-methyl-2-(1-methylethyl)-
Completing data — refresh the page later to see the latest
Basic information
- CAS
412320-87-7- Standard SMILES
CC1CC(=O)C(C(C)C)=C(O)C1- InChIKey
VRVKTBJLIKYKLI-UHFFFAOYSA-N- Molecular formula
- C10H16O2
- Average molar mass
- 168.23 g/mol
- Monoisotopic mass
- 168.11502975
Names & identifiers
- Preferred name
- 2-Cyclohexen-1-one, 3-hydroxy-5-methyl-2-(1-methylethyl)-
- IUPAC
- 3-hydroxy-5-methyl-2-propan-2-ylcyclohex-2-en-1-one
- English name
- 2-Cyclohexen-1-one,3-hydroxy-5-methyl-2-(1-methylethyl)-(9CI)
- Molecular formula
- C10H16O2
- Molecular weight
- 168.23
Names & synonyms
SCHEMBL12267891412320-87-7DB-2699882-CYCLOHEXEN-1-ONE, 3-HYDROXY-5-METHYL-2-(1-METHYLETHYL)-3-hydroxy-2-isopropyl-5-methylcyclohex-2-enone2-CYCLOHEXEN-1-ONE, 3-HYDROXY-5-METHYL-2-(1-METHYLETHYL)2-Cyclohexen-1-one,3-hydroxy-5-methyl-2-(1-methylethyl)-(9CI)
Database identifiers
- CAS
412320-87-7- PubChem CID
- 45096384
Properties
Computed structural propertiesFilling in
- XLogP
- 1.8
- 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
- 226
Physicochemical properties
- Boiling point
- 260.6 · 260.6±40.0 °C(Predicted)
- Density
- 1.042 · 1.042±0.06 g/cm3(Predicted)
- pka
- 5.47 · 5.47±0.25(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…