ChemSpider 2D Image | Dimethyl (4R)-4-hydroxy-4-methyl-6-oxo-2-phenylcyclohexane-1,3-dicarboxylate | C17H20O6

Dimethyl (4R)-4-hydroxy-4-methyl-6-oxo-2-phenylcyclohexane-1,3-dicarboxylate

  • Molecular FormulaC17H20O6
  • Average mass320.337 Da
  • Monoisotopic mass320.125977 Da
  • ChemSpider ID21424450

  • defined stereocentres - 1 of 4 defined stereocentres

More details:

Validated by Experts, Validated by Users, Non-Validated, Removed by Users

(4R)-4-Hydroxy-4-méthyl-6-oxo-2-phényl-1,3-cyclohexanedicarboxylate de diméthyle [French] [ACD/IUPAC Name]
1,3-Cyclohexanedicarboxylic acid, 4-hydroxy-4-methyl-6-oxo-2-phenyl-, dimethyl ester, (4R)- [ACD/Index Name]
Dimethyl (4R)-4-hydroxy-4-methyl-6-oxo-2-phenyl-1,3-cyclohexanedicarboxylate
Dimethyl (4R)-4-hydroxy-4-methyl-6-oxo-2-phenylcyclohexane-1,3-dicarboxylate [ACD/IUPAC Name]
Dimethyl-(4R)-4-hydroxy-4-methyl-6-oxo-2-phenyl-1,3-cyclohexandicarboxylat [German] [ACD/IUPAC Name]
L6VTJ BVO1 CR& DVO1 EQ E1 &&(4R)- Form [WLN]
44887828 [PubChem CID]
MFCD00958870 [MDL number]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.2±0.1 g/cm3
Boiling Point: 461.4±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.2 mmHg at 25°C
Enthalpy of Vaporization: 76.1±3.0 kJ/mol
Flash Point: 164.4±22.2 °C
Index of Refraction: 1.536
Molar Refractivity: 80.3±0.3 cm3
#H bond acceptors: 6
#H bond donors: 1
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 1.85
ACD/LogD (pH 5.5): 1.83
ACD/BCF (pH 5.5): 14.52
ACD/KOC (pH 5.5): 236.22
ACD/LogD (pH 7.4): 1.83
ACD/BCF (pH 7.4): 14.40
ACD/KOC (pH 7.4): 234.27
Polar Surface Area: 90 Å2
Polarizability: 31.9±0.5 10-24cm3
Surface Tension: 47.9±3.0 dyne/cm
Molar Volume: 257.8±3.0 cm3

Click to predict properties on the Chemicalize site


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