Basic information
- CAS
1005099-44-4- Standard SMILES
CC(C)OC(=O)C1C(=O)CC(C)(O)C(C(=O)OC(C)C)C1c1ccc(C(C)(C)C)cc1- InChIKey
UTHOPROUGTUCHE-UHFFFAOYSA-N- Molecular formula
- C25H36O6
- Average molar mass
- 432.5 g/mol
- Monoisotopic mass
- 432.25118886
Names & identifiers
- Preferred name
- Diisopropyl 2-(4-tert-butylphenyl)-4-hydroxy-4-methyl-6-oxocyclohexane-1,3-dicarboxylate
- IUPAC
- dipropan-2-yl 2-(4-tert-butylphenyl)-4-hydroxy-4-methyl-6-oxocyclohexane-1,3-dicarboxylate
- English name
- diisopropyl 2-(4-tert-butylphenyl)-4-hydroxy-4-methyl-6-oxocyclohexane-1,3-dicarboxylate
- Molecular formula
- C25H36O6
- Molecular weight
- 432.55
Names & synonyms
1005099-44-4diisopropyl 2-(4-tert-butylphenyl)-4-hydroxy-4-methyl-6-oxocyclohexane-1,3-dicarboxylatedipropan-2-yl 2-(4-tert-butylphenyl)-4-hydroxy-4-methyl-6-oxocyclohexane-1,3-dicarboxylateSTK842308AKOS001685755AKOS022005653AQ-149/41675251SR-01000084861SR-01000084861-1diisopropyl 2-(4-(tert-butyl)phenyl)-4-hydroxy-4-methyl-6-oxocyclohexane-1,3-dicarboxylatedi(propan-2-yl) 2-(4-tert-butylphenyl)-4-hydroxy-4-methyl-6-oxocyclohexane-1,3-dicarboxylate1,3-Cyclohexanedicarboxylic acid, 2-[4-(1,1-dimethylethyl)phenyl]-4-hydroxy-4-methyl-6-oxo-, 1,3-bis(1-methylethyl) ester
Database identifiers
- CAS
1005099-44-4- PubChem CID
- 3784996
Properties
Computed structural properties
- XLogP
- 4.8
- Topological polar surface area
- 89.9 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 8
- Heavy atoms
- 31
- Formal charge
- 0
- Complexity
- 668
Physicochemical properties
- Boiling point
- 535.5 · 535.5±50.0 °C(Predicted)
- Density
- 1.105 · 1.105±0.06 g/cm3(Predicted)
- pka
- 10.74 · 10.74±0.70(Predicted)
Chemistry & industry
Suppliers3 total
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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