ChemSpider 2D Image | Diethyl 5,5'-methylenebis[4-(2-ethoxy-2-oxoethyl)-3-(3-ethoxy-3-oxopropyl)-1H-pyrrole-2-carboxylate] | C33H46N2O12

Diethyl 5,5'-methylenebis[4-(2-ethoxy-2-oxoethyl)-3-(3-ethoxy-3-oxopropyl)-1H-pyrrole-2-carboxylate]

  • Molecular FormulaC33H46N2O12
  • Average mass662.724 Da
  • Monoisotopic mass662.305054 Da
  • ChemSpider ID551292

More details:

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

1H-Pyrrole-3-propanoic acid, 5,5'-methylenebis[2-(ethoxycarbonyl)-4-(2-ethoxy-2-oxoethyl)-, diethyl ester [ACD/Index Name]
5,5'-Méthylènebis[4-(2-éthoxy-2-oxoéthyl)-3-(3-éthoxy-3-oxopropyl)-1H-pyrrole-2-carboxylate] de diéthyle [French] [ACD/IUPAC Name]
Diethyl 5,5'-methylenebis[4-(2-ethoxy-2-oxoethyl)-3-(3-ethoxy-3-oxopropyl)-1H-pyrrole-2-carboxylate] [ACD/IUPAC Name]
Diethyl-5,5'-methylenbis[4-(2-ethoxy-2-oxoethyl)-3-(3-ethoxy-3-oxopropyl)-1H-pyrrol-2-carboxylat] [German] [ACD/IUPAC Name]
[(1H)-Pyrrole-3-propanoic acid, 2-ethoxycarbonyl-4-ethoxycarbonylmethyl]-5,5'-methylene, bis-, diethyl ester

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

Density: 1.2±0.1 g/cm3
Boiling Point: 752.4±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.5 mmHg at 25°C
Enthalpy of Vaporization: 109.6±3.0 kJ/mol
Flash Point: 408.8±32.9 °C
Index of Refraction: 1.532
Molar Refractivity: 168.9±0.3 cm3
#H bond acceptors: 14
#H bond donors: 2
#Freely Rotating Bonds: 26
#Rule of 5 Violations: 3
ACD/LogP: 5.04
ACD/LogD (pH 5.5): 5.26
ACD/BCF (pH 5.5): 5806.61
ACD/KOC (pH 5.5): 17211.03
ACD/LogD (pH 7.4): 5.26
ACD/BCF (pH 7.4): 5806.64
ACD/KOC (pH 7.4): 17211.13
Polar Surface Area: 189 Å2
Polarizability: 66.9±0.5 10-24cm3
Surface Tension: 47.6±3.0 dyne/cm
Molar Volume: 544.5±3.0 cm3

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