ChemSpider 2D Image | Diethyl 3-(3-ethoxy-3-oxopropyl)-5-methyl-1H-pyrrole-2,4-dicarboxylate | C16H23NO6

Diethyl 3-(3-ethoxy-3-oxopropyl)-5-methyl-1H-pyrrole-2,4-dicarboxylate

  • Molecular FormulaC16H23NO6
  • Average mass325.357 Da
  • Monoisotopic mass325.152527 Da
  • ChemSpider ID21373992

More details:

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

1H-Pyrrole-2,4-dicarboxylic acid, 3-(3-ethoxy-3-oxopropyl)-5-methyl-, diethyl ester [ACD/Index Name]
2,4-DIETHYL 3-(3-ETHOXY-3-OXOPROPYL)-5-METHYL-1H-PYRROLE-2,4-DICARBOXYLATE
3-(2-Ethoxycarbonyl-ethyl)-5-methyl-1H-pyrrole-2,4-dicarboxylic acid diethyl ester
3-(3-Éthoxy-3-oxopropyl)-5-méthyl-1H-pyrrole-2,4-dicarboxylate de diéthyle [French] [ACD/IUPAC Name]
361380-78-1 [RN]
Diethyl 3-(3-ethoxy-3-oxopropyl)-5-methyl-1H-pyrrole-2,4-dicarboxylate [ACD/IUPAC Name]
Diethyl-3-(3-ethoxy-3-oxopropyl)-5-methyl-1H-pyrrol-2,4-dicarboxylat [German] [ACD/IUPAC Name]
3-(2-Ethoxycarbonyl-ethyl)-5-methyl-1H-pyrrole-2,4
3-(2-ETHOXYCARBONYL-ETHYL)-5-METHYL-1H-PYRROLE-2,4-DICARBOXYLICACIDDIETHYLESTER
-dicarboxylic acid diethyl ester
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Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.2±0.1 g/cm3
Boiling Point: 478.5±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.2 mmHg at 25°C
Enthalpy of Vaporization: 74.3±3.0 kJ/mol
Flash Point: 243.2±28.7 °C
Index of Refraction: 1.512
Molar Refractivity: 83.5±0.3 cm3
#H bond acceptors: 7
#H bond donors: 1
#Freely Rotating Bonds: 11
#Rule of 5 Violations: 0
ACD/LogP: 3.96
ACD/LogD (pH 5.5): 3.46
ACD/BCF (pH 5.5): 249.57
ACD/KOC (pH 5.5): 1809.34
ACD/LogD (pH 7.4): 3.46
ACD/BCF (pH 7.4): 249.57
ACD/KOC (pH 7.4): 1809.34
Polar Surface Area: 95 Å2
Polarizability: 33.1±0.5 10-24cm3
Surface Tension: 43.2±3.0 dyne/cm
Molar Volume: 278.6±3.0 cm3

Click to predict properties on the Chemicalize site


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