ChemSpider 2D Image | 1-[3-Ethoxy-4-(3-methylbutoxy)phenyl]-5,7-dimethyl-2-pentyl-1,2-dihydrochromeno[2,3-c]pyrrole-3,9-dione | C31H39NO5

1-[3-Ethoxy-4-(3-methylbutoxy)phenyl]-5,7-dimethyl-2-pentyl-1,2-dihydrochromeno[2,3-c]pyrrole-3,9-dione

  • Molecular FormulaC31H39NO5
  • Average mass505.645 Da
  • Monoisotopic mass505.282837 Da
  • ChemSpider ID11983396

More details:

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

[1]Benzopyrano[2,3-c]pyrrole-3,9-dione, 1-[3-ethoxy-4-(3-methylbutoxy)phenyl]-1,2-dihydro-5,7-dimethyl-2-pentyl- [ACD/Index Name]
1-[3-Ethoxy-4-(3-methylbutoxy)phenyl]-5,7-dimethyl-2-pentyl-1,2-dihydrochromeno[2,3-c]pyrrol-3,9-dion [German] [ACD/IUPAC Name]
1-[3-Ethoxy-4-(3-methylbutoxy)phenyl]-5,7-dimethyl-2-pentyl-1,2-dihydrochromeno[2,3-c]pyrrole-3,9-dione [ACD/IUPAC Name]
1-[3-Éthoxy-4-(3-méthylbutoxy)phényl]-5,7-diméthyl-2-pentyl-1,2-dihydrochroméno[2,3-c]pyrrole-3,9-dione [French] [ACD/IUPAC Name]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 658.6±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.0 mmHg at 25°C
Enthalpy of Vaporization: 96.9±3.0 kJ/mol
Flash Point: 352.1±31.5 °C
Index of Refraction: 1.583
Molar Refractivity: 144.1±0.4 cm3
#H bond acceptors: 6
#H bond donors: 0
#Freely Rotating Bonds: 11
#Rule of 5 Violations: 2
ACD/LogP: 7.67
ACD/LogD (pH 5.5): 6.86
ACD/BCF (pH 5.5): 96305.09
ACD/KOC (pH 5.5): 128491.76
ACD/LogD (pH 7.4): 6.86
ACD/BCF (pH 7.4): 96305.09
ACD/KOC (pH 7.4): 128491.76
Polar Surface Area: 65 Å2
Polarizability: 57.1±0.5 10-24cm3
Surface Tension: 49.6±5.0 dyne/cm
Molar Volume: 431.4±5.0 cm3

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