Bis(2-methylpropyl) 4-hydroxy-2-(4-methoxyphenyl)-4-methyl-6-oxocyclohexane-1,3-dicarboxylate
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Basic information
- CAS
1005045-12-4- Standard SMILES
COc1ccc(C2C(C(=O)OCC(C)C)C(=O)CC(C)(O)C2C(=O)OCC(C)C)cc1- InChIKey
QMVTZHKRYFLFKP-UHFFFAOYSA-N- Molecular formula
- C24H34O7
- Average molar mass
- 434.5 g/mol
- Monoisotopic mass
- 434.23045342
Names & identifiers
- Preferred name
- Bis(2-methylpropyl) 4-hydroxy-2-(4-methoxyphenyl)-4-methyl-6-oxocyclohexane-1,3-dicarboxylate
- IUPAC
- bis(2-methylpropyl) 4-hydroxy-2-(4-methoxyphenyl)-4-methyl-6-oxocyclohexane-1,3-dicarboxylate
- English name
- diisobutyl 4-hydroxy-2-(4-methoxyphenyl)-4-methyl-6-oxo-1,3-cyclohexanedicarboxylate
- Molecular formula
- C24H34O7
- Molecular weight
- 434.52
Names & synonyms
bis(2-methylpropyl) 4-hydroxy-2-(4-methoxyphenyl)-4-methyl-6-oxocyclohexane-1,3-dicarboxylateSTL538116AKOS003654759AQ-149/41675221diisobutyl 4-hydroxy-2-(4-methoxyphenyl)-4-methyl-6-oxo-1,3-cyclohexanedicarboxylatediisobutyl 4-hydroxy-2-(4-methoxyphenyl)-4-methyl-6-oxocyclohexane-1,3-dicarboxylate1,3-Cyclohexanedicarboxylic acid, 4-hydroxy-2-(4-methoxyphenyl)-4-methyl-6-oxo-, 1,3-bis(2-methylpropyl) ester
Database identifiers
- CAS
1005045-12-4- PubChem CID
- 4587552
Properties
Computed structural propertiesFilling in
- XLogP
- 4.2
- Topological polar surface area
- 99.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 10
- Heavy atoms
- 31
- Formal charge
- 0
- Complexity
- 636
Related reactions
0 records
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Compound notes
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