Basic information
- CAS
17572-39-3- Standard SMILES
CCOC(=O)C1C(=O)CC(C)(O)C(C(=O)OCC)C1c1ccccc1- InChIKey
VDLSNXQRYWSHGB-UHFFFAOYSA-N- Molecular formula
- C19H24O6
- Average molar mass
- 348.4 g/mol
- Monoisotopic mass
- 348.15728848
Names & identifiers
- Preferred name
- 1,3-Diethyl 4-hydroxy-4-methyl-6-oxo-2-phenyl-1,3-cyclohexanedicarboxylate
- IUPAC
- diethyl 4-hydroxy-4-methyl-6-oxo-2-phenylcyclohexane-1,3-dicarboxylate
- English name
- diethyl 4-hydroxy-4-Methyl-6-oxo-2-phenylcyclohexane-1,3-dicarboxylate
- Molecular formula
- C19H24O6
- Molecular weight
- 348.39
Names & synonyms
17572-39-3RefChem:10528321,3-Diethyl 4-hydroxy-4-methyl-6-oxo-2-phenyl-1,3-cyclohexanedicarboxylatediethyl 4-hydroxy-4-methyl-6-oxo-2-phenylcyclohexane-1,3-dicarboxylateMFCD00380822Diethyl 4-hydroxy-4-methyl-6-oxo-2-phenyl-1,3-cyclohexanedicarboxylateNSC1406101,3-Cyclohexanedicarboxylic acid, 4-hydroxy-4-methyl-6-oxo-2-phenyl-, diethyl ester1,3-diethyl 4-hydroxy-4-methyl-6-oxo-2-phenylcyclohexane-1,3-dicarboxylate4-Hydroxy-4-methyl-6-oxo-2-phenyl-cyclohexane-1,3-dicarboxylic acid diethyl esterOprea1_003950Oprea1_858176
Show more names
2,4-Dicarbethoxy-5-hydroxy-5-methyl-3-phenylcyclohexanone1,3-Cyclohexanedicarboxylic acid, 4-hydroxy-4-methyl-6-oxo-2-phenyl-, 1,3-diethyl ester
MLS000120845CHEMBL1450007DTXSID80938695HMS2341P04STK397418AKOS000314141CCG-104255NSC 140610
Properties
Computed structural properties
- XLogP
- 2.3
- Topological polar surface area
- 89.9 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 7
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 510
Physicochemical properties
- Melting point
- 155 · 155-158℃ (ethanol )
- Boiling point
- 483.6 · 483.6±45.0 °C(Predicted)
- Density
- 1.198 · 1.198±0.06 g/cm3(Predicted)
- storage temp.
- 2 · 2-8°C
- pka
- 9.59 · 9.59±0.70(Predicted)
Chemistry & industry
Upstream & downstream products
Upstream raw materials
Suppliers3 total
上海相辉医药科技有限公司[email protected]
河南奥诗曼生物科技有限公司13761588971 17719817155 · [email protected]
上海相辉医药科技有限公司13611835272 13611835272 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…