ChemSpider 2D Image | Ethyl 1-{2-[(2-methyl-2-propanyl)oxy]-2-oxoethyl}-4,5-diphenyl-2-[(1E)-1-propen-1-yl]-1H-pyrrole-3-carboxylate | C28H31NO4

Ethyl 1-{2-[(2-methyl-2-propanyl)oxy]-2-oxoethyl}-4,5-diphenyl-2-[(1E)-1-propen-1-yl]-1H-pyrrole-3-carboxylate

  • Molecular FormulaC28H31NO4
  • Average mass445.550 Da
  • Monoisotopic mass445.225311 Da
  • ChemSpider ID30659569

  • Double-bond stereo - Double-bond stereo

More details:

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

1-{2-[(2-Méthyl-2-propanyl)oxy]-2-oxoéthyl}-4,5-diphényl-2-[(1E)-1-propén-1-yl]-1H-pyrrole-3-carboxylate d'éthyle [French] [ACD/IUPAC Name]
1H-Pyrrole-1-acetic acid, 3-(ethoxycarbonyl)-4,5-diphenyl-2-[(1E)-1-propen-1-yl]-, 1,1-dimethylethyl ester [ACD/Index Name]
Ethyl 1-{2-[(2-methyl-2-propanyl)oxy]-2-oxoethyl}-4,5-diphenyl-2-[(1E)-1-propen-1-yl]-1H-pyrrole-3-carboxylate [ACD/IUPAC Name]
Ethyl-1-{2-[(2-methyl-2-propanyl)oxy]-2-oxoethyl}-4,5-diphenyl-2-[(1E)-1-propen-1-yl]-1H-pyrrol-3-carboxylat [German] [ACD/IUPAC 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: 584.9±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.6 mmHg at 25°C
Enthalpy of Vaporization: 87.4±3.0 kJ/mol
Flash Point: 307.5±30.1 °C
Index of Refraction: 1.546
Molar Refractivity: 132.0±0.5 cm3
#H bond acceptors: 5
#H bond donors: 0
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 1
ACD/LogP: 6.74
ACD/LogD (pH 5.5): 6.45
ACD/BCF (pH 5.5): 47348.67
ACD/KOC (pH 5.5): 77297.93
ACD/LogD (pH 7.4): 6.45
ACD/BCF (pH 7.4): 47348.67
ACD/KOC (pH 7.4): 77297.93
Polar Surface Area: 58 Å2
Polarizability: 52.3±0.5 10-24cm3
Surface Tension: 37.6±7.0 dyne/cm
Molar Volume: 416.7±7.0 cm3

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