ChemSpider 2D Image | 2-Methyl-2-propanyl (2S,3R)-5-(4-methylphenyl)-5-oxo-2,3-diphenylpentanoate | C28H30O3

2-Methyl-2-propanyl (2S,3R)-5-(4-methylphenyl)-5-oxo-2,3-diphenylpentanoate

  • Molecular FormulaC28H30O3
  • Average mass414.536 Da
  • Monoisotopic mass414.219482 Da
  • ChemSpider ID62648346

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

(2S,3R)-5-(4-Méthylphényl)-5-oxo-2,3-diphénylpentanoate de 2-méthyl-2-propanyle [French] [ACD/IUPAC Name]
2-Methyl-2-propanyl (2S,3R)-5-(4-methylphenyl)-5-oxo-2,3-diphenylpentanoate [ACD/IUPAC Name]
2-Methyl-2-propanyl-(2S,3R)-5-(4-methylphenyl)-5-oxo-2,3-diphenylpentanoat [German] [ACD/IUPAC Name]
Benzenepentanoic acid, 4-methyl-δ-oxo-α,β-diphenyl-, 1,1-dimethylethyl ester, (αS,βR)- [ACD/Index Name]

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

Density: 1.1±0.1 g/cm3
Boiling Point: 545.3±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.5 mmHg at 25°C
Enthalpy of Vaporization: 82.4±3.0 kJ/mol
Flash Point: 232.6±30.2 °C
Index of Refraction: 1.569
Molar Refractivity: 124.3±0.3 cm3
#H bond acceptors: 3
#H bond donors: 0
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 1
ACD/LogP: 7.26
ACD/LogD (pH 5.5): 6.70
ACD/BCF (pH 5.5): 73343.27
ACD/KOC (pH 5.5): 105731.70
ACD/LogD (pH 7.4): 6.70
ACD/BCF (pH 7.4): 73343.27
ACD/KOC (pH 7.4): 105731.70
Polar Surface Area: 43 Å2
Polarizability: 49.3±0.5 10-24cm3
Surface Tension: 42.8±3.0 dyne/cm
Molar Volume: 379.2±3.0 cm3

Click to predict properties on the Chemicalize site


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