ChemSpider 2D Image | Di-tert-butyl 3,5-dimethyl-1H-pyrrole-2,4-dicarboxylate | C16H25NO4

Di-tert-butyl 3,5-dimethyl-1H-pyrrole-2,4-dicarboxylate

  • Molecular FormulaC16H25NO4
  • Average mass295.374 Da
  • Monoisotopic mass295.178345 Da
  • ChemSpider ID21373993

More details:

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

1H-Pyrrole-2,4-dicarboxylic acid, 3,5-dimethyl-, bis(1,1-dimethylethyl) ester [ACD/Index Name]
3,5-Diméthyl-1H-pyrrole-2,4-dicarboxylate de bis(2-méthyl-2-propanyle) [French] [ACD/IUPAC Name]
94461-44-6 [RN]
Bis(2-methyl-2-propanyl) 3,5-dimethyl-1H-pyrrole-2,4-dicarboxylate [ACD/IUPAC Name]
Bis(2-methyl-2-propanyl)-3,5-dimethyl-1H-pyrrol-2,4-dicarboxylat [German] [ACD/IUPAC Name]
Di-tert-butyl 3,5-dimethyl-1H-pyrrole-2,4-dicarboxylate
[94461-44-6] [RN]
1H-Pyrrole-2,4-dicarboxylicacid, 3,5-dimethyl-, 2,4-bis(1,1-dimethylethyl) ester
2,4-DI-TERT-BUTYL 3,5-DIMETHYL-1H-PYRROLE-2,4-DICARBOXYLATE
3,5-Dimethyl-1H-pyrrole-2,4-dicarboxylic acid di-
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Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.1±0.1 g/cm3
Boiling Point: 403.4±40.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.9 mmHg at 25°C
Enthalpy of Vaporization: 65.5±3.0 kJ/mol
Flash Point: 197.8±27.3 °C
Index of Refraction: 1.505
Molar Refractivity: 81.6±0.3 cm3
#H bond acceptors: 5
#H bond donors: 1
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 1
ACD/LogP: 5.25
ACD/LogD (pH 5.5): 4.74
ACD/BCF (pH 5.5): 2351.64
ACD/KOC (pH 5.5): 9012.05
ACD/LogD (pH 7.4): 4.74
ACD/BCF (pH 7.4): 2351.64
ACD/KOC (pH 7.4): 9012.05
Polar Surface Area: 68 Å2
Polarizability: 32.4±0.5 10-24cm3
Surface Tension: 37.4±3.0 dyne/cm
Molar Volume: 275.2±3.0 cm3

Click to predict properties on the Chemicalize site


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