2-[(2-Hydroxy-4,4-dimethyl-6-oxo-1-cyclohexen-1-yl)(2-methylphenyl)methyl]-5,5-dimethyl-1,3-cyclohexanedione
Basic information
- CAS
315672-61-8- Standard SMILES
Cc1ccccc1C(C1=C(O)CC(C)(C)CC1=O)C1C(=O)CC(C)(C)CC1=O- InChIKey
NQAAYHFDCUETDW-UHFFFAOYSA-N- Molecular formula
- C24H30O4
- Average molar mass
- 382.5 g/mol
- Monoisotopic mass
- 382.21440943
Names & identifiers
- Preferred name
- 2-[(2-Hydroxy-4,4-dimethyl-6-oxo-1-cyclohexen-1-yl)(2-methylphenyl)methyl]-5,5-dimethyl-1,3-cyclohexanedione
- IUPAC
- 2-[(2-hydroxy-4,4-dimethyl-6-oxocyclohexen-1-yl)-(2-methylphenyl)methyl]-5,5-dimethylcyclohexane-1,3-dione
- English name
- 2-[(2-hydroxy-4,4-dimethyl-6-oxo-1-cyclohexen-1-yl)(2-methylphenyl)methyl]-5,5-dimethyl-1,3-cyclohexanedione
- Molecular formula
- C24H30O4
- Molecular weight
- 382.49
Names & synonyms
2-[(2-hydroxy-4,4-dimethyl-6-oxo-1-cyclohexen-1-yl)(2-methylphenyl)methyl]-5,5-dimethyl-1,3-cyclohexanedione315672-61-8Oprea1_251936Oprea1_849115DTXSID701109066STK050300AKOS000488260AKOS0163522282-[(2-hydroxy-4,4-dimethyl-6-oxocyclohexen-1-yl)-(2-methylphenyl)methyl]-5,5-dimethylcyclohexane-1,3-dioneST055149SR-01000204257SR-01000204257-1
Show more names
1,3-Cyclohexanedione, 2-[(2-hydroxy-4,4-dimethyl-6-oxo-1-cyclohexen-1-yl)(2-methylphenyl)methyl]-5,5-dimethyl-
2-[(2-hydroxy-4,4-dimethyl-6-oxocyclohex-1-en-1-yl)(2-methylphenyl)methyl]-5,5-dimethylcyclohexane-1,3-dione2-[(6-hydroxy-4,4-dimethyl-2-oxocyclohex-1(6)-enyl)(2-methylphenyl)methyl]-5,5 -dimethylcyclohexane-1,3-dione
Database identifiers
- CAS
315672-61-8- PubChem CID
Properties
Computed structural properties
- XLogP
- 3.8
- Topological polar surface area
- 71.4 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 28
- Formal charge
- 0
- Complexity
- 692
Physicochemical properties
- Boiling point
- 547.6 · 547.6±50.0 °C(Predicted)
- Density
- 1.147 · 1.147±0.06 g/cm3(Predicted)
- pka
- 4.76 · 4.76±0.42(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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