ChemSpider 2D Image | 3-Ethyl 1-(2-methyl-2-propanyl) 2-(bis{[(2-methyl-2-propanyl)oxy]carbonyl}amino)-1H-pyrrole-1,3-dicarboxylate | C22H34N2O8

3-Ethyl 1-(2-methyl-2-propanyl) 2-(bis{[(2-methyl-2-propanyl)oxy]carbonyl}amino)-1H-pyrrole-1,3-dicarboxylate

  • Molecular FormulaC22H34N2O8
  • Average mass454.514 Da
  • Monoisotopic mass454.231506 Da
  • ChemSpider ID82953436

More details:

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

1H-Pyrrole-1,3-dicarboxylic acid, 2-[bis[(1,1-dimethylethoxy)carbonyl]amino]-, 1-(1,1-dimethylethyl) 3-ethyl ester [ACD/Index Name]
2-(Bis{[(2-méthyl-2-propanyl)oxy]carbonyl}amino)-1H-pyrrole-1,3-dicarboxylate de 3-éthyle et de 1-(2-méthyl-2-propanyle) [French] [ACD/IUPAC Name]
3-Ethyl 1-(2-methyl-2-propanyl) 2-(bis{[(2-methyl-2-propanyl)oxy]carbonyl}amino)-1H-pyrrole-1,3-dicarboxylate [ACD/IUPAC Name]
3-Ethyl-1-(2-methyl-2-propanyl)-2-(bis{[(2-methyl-2-propanyl)oxy]carbonyl}amino)-1H-pyrrol-1,3-dicarboxylat [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: 510.0±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.3 mmHg at 25°C
Enthalpy of Vaporization: 78.1±3.0 kJ/mol
Flash Point: 262.2±32.9 °C
Index of Refraction: 1.499
Molar Refractivity: 118.0±0.5 cm3
#H bond acceptors: 10
#H bond donors: 0
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 1
ACD/LogP: 4.48
ACD/LogD (pH 5.5): 4.59
ACD/BCF (pH 5.5): 1801.94
ACD/KOC (pH 5.5): 7448.28
ACD/LogD (pH 7.4): 4.59
ACD/BCF (pH 7.4): 1801.94
ACD/KOC (pH 7.4): 7448.28
Polar Surface Area: 113 Å2
Polarizability: 46.8±0.5 10-24cm3
Surface Tension: 36.2±7.0 dyne/cm
Molar Volume: 402.0±7.0 cm3

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