ChemSpider 2D Image | 1-Butyl-4-[4-ethoxy-3-(2-methyl-2-propanyl)benzoyl]-3-hydroxy-5-[4-(2-methyl-2-propanyl)phenyl]-1,5-dihydro-2H-pyrrol-2-one | C31H41NO4

1-Butyl-4-[4-ethoxy-3-(2-methyl-2-propanyl)benzoyl]-3-hydroxy-5-[4-(2-methyl-2-propanyl)phenyl]-1,5-dihydro-2H-pyrrol-2-one

  • Molecular FormulaC31H41NO4
  • Average mass491.661 Da
  • Monoisotopic mass491.303558 Da
  • ChemSpider ID34865510

More details:

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

1-Butyl-4-[4-ethoxy-3-(2-methyl-2-propanyl)benzoyl]-3-hydroxy-5-[4-(2-methyl-2-propanyl)phenyl]-1,5-dihydro-2H-pyrrol-2-on [German] [ACD/IUPAC Name]
1-Butyl-4-[4-ethoxy-3-(2-methyl-2-propanyl)benzoyl]-3-hydroxy-5-[4-(2-methyl-2-propanyl)phenyl]-1,5-dihydro-2H-pyrrol-2-one [ACD/IUPAC Name]
1-Butyl-4-[4-éthoxy-3-(2-méthyl-2-propanyl)benzoyl]-3-hydroxy-5-[4-(2-méthyl-2-propanyl)phényl]-1,5-dihydro-2H-pyrrol-2-one [French] [ACD/IUPAC Name]
2H-Pyrrol-2-one, 1-butyl-4-[3-(1,1-dimethylethyl)-4-ethoxybenzoyl]-5-[4-(1,1-dimethylethyl)phenyl]-1,5-dihydro-3-hydroxy- [ACD/Index 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: 647.4±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.0 mmHg at 25°C
Enthalpy of Vaporization: 100.3±3.0 kJ/mol
Flash Point: 345.3±31.5 °C
Index of Refraction: 1.556
Molar Refractivity: 144.1±0.3 cm3
#H bond acceptors: 5
#H bond donors: 1
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 1
ACD/LogP: 8.37
ACD/LogD (pH 5.5): 5.72
ACD/BCF (pH 5.5): 7377.97
ACD/KOC (pH 5.5): 10343.68
ACD/LogD (pH 7.4): 3.96
ACD/BCF (pH 7.4): 127.27
ACD/KOC (pH 7.4): 178.43
Polar Surface Area: 67 Å2
Polarizability: 57.1±0.5 10-24cm3
Surface Tension: 43.1±3.0 dyne/cm
Molar Volume: 448.2±3.0 cm3

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