ChemSpider 2D Image | 1-Cyclopentyl-4-[4-ethoxy-3-(2-methyl-2-propanyl)benzoyl]-3-hydroxy-5-(3-isopropoxyphenyl)-1,5-dihydro-2H-pyrrol-2-one | C31H39NO5

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

  • Molecular FormulaC31H39NO5
  • Average mass505.645 Da
  • Monoisotopic mass505.282837 Da
  • ChemSpider ID34579522

More details:

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

1-Cyclopentyl-4-[4-ethoxy-3-(2-methyl-2-propanyl)benzoyl]-3-hydroxy-5-(3-isopropoxyphenyl)-1,5-dihydro-2H-pyrrol-2-on [German] [ACD/IUPAC Name]
1-Cyclopentyl-4-[4-ethoxy-3-(2-methyl-2-propanyl)benzoyl]-3-hydroxy-5-(3-isopropoxyphenyl)-1,5-dihydro-2H-pyrrol-2-one [ACD/IUPAC Name]
1-Cyclopentyl-4-[4-éthoxy-3-(2-méthyl-2-propanyl)benzoyl]-3-hydroxy-5-(3-isopropoxyphényl)-1,5-dihydro-2H-pyrrol-2-one [French] [ACD/IUPAC Name]
2H-Pyrrol-2-one, 1-cyclopentyl-4-[3-(1,1-dimethylethyl)-4-ethoxybenzoyl]-1,5-dihydro-3-hydroxy-5-[3-(1-methylethoxy)phenyl]- [ACD/Index 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: 674.8±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.2 mmHg at 25°C
Enthalpy of Vaporization: 104.1±3.0 kJ/mol
Flash Point: 361.9±31.5 °C
Index of Refraction: 1.584
Molar Refractivity: 144.1±0.3 cm3
#H bond acceptors: 6
#H bond donors: 1
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 2
ACD/LogP: 7.38
ACD/LogD (pH 5.5): 4.87
ACD/BCF (pH 5.5): 1665.57
ACD/KOC (pH 5.5): 3564.57
ACD/LogD (pH 7.4): 3.11
ACD/BCF (pH 7.4): 28.73
ACD/KOC (pH 7.4): 61.49
Polar Surface Area: 76 Å2
Polarizability: 57.1±0.5 10-24cm3
Surface Tension: 48.9±3.0 dyne/cm
Molar Volume: 430.7±3.0 cm3

Click to predict properties on the Chemicalize site


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