Basic information
- CAS
330155-84-5- Standard SMILES
CCOC(=O)C1C(=O)CC(C)(O)C(C(=O)OCC)C1c1ccc(C(C)C)cc1- InChIKey
HFTTWJOZPDZNPT-UHFFFAOYSA-N- Molecular formula
- C22H30O6
- Average molar mass
- 390.5 g/mol
- Monoisotopic mass
- 390.20423867
Names & identifiers
- Preferred name
- Diethyl 4-hydroxy-4-methyl-6-oxo-2-(4-propan-2-ylphenyl)cyclohexane-1,3-dicarboxylate
- IUPAC
- diethyl 4-hydroxy-4-methyl-6-oxo-2-(4-propan-2-ylphenyl)cyclohexane-1,3-dicarboxylate
- English name
- diethyl 4-hydroxy-2-(4-isopropylphenyl)-4-methyl-6-oxo-1,3-cyclohexanedicarboxylate
- Molecular formula
- C22H30O6
- Molecular weight
- 390.47
Names & synonyms
diethyl 4-hydroxy-4-methyl-6-oxo-2-(4-propan-2-ylphenyl)cyclohexane-1,3-dicarboxylatediethyl 4-hydroxy-2-(4-isopropylphenyl)-4-methyl-6-oxo-1,3-cyclohexanedicarboxylatediethyl 4-hydroxy-4-methyl-6-oxo-2-[4-(propan-2-yl)phenyl]cyclohexane-1,3-dicarboxylateOprea1_776505330155-84-5STK759624AKOS001488789AKOS021990616ST4044120EU-0071762AG-205/12378096SR-01000435064
Show more names
1,3-Cyclohexanedicarboxylic acid, 4-hydroxy-4-methyl-2-[4-(1-methylethyl)phenyl]-6-oxo-, 1,3-diethyl ester
SR-01000435064-1diethyl 4-hydroxy-2-(4-isopropylphenyl)-4-methyl-6-oxocyclohexane-1,3-dicarboxylate
Database identifiers
- CAS
330155-84-5- PubChem CID
- 3478985
Properties
Computed structural properties
- XLogP
- 3.4
- Topological polar surface area
- 89.9 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 8
- Heavy atoms
- 28
- Formal charge
- 0
- Complexity
- 578
Physicochemical properties
- Boiling point
- 511.6 · 511.6±50.0 °C(Predicted)
- Density
- 1.145 · 1.145±0.06 g/cm3(Predicted)
- pka
- 9.69 · 9.69±0.70(Predicted)
Chemistry & industry
Suppliers2 total
Interbioscreen Ltd.[email protected]
SPECS[email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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