ChemSpider 2D Image | 3-Hydroxy-1-(3-isopropoxypropyl)-4-[2-methyl-5-(2-methyl-2-propanyl)benzoyl]-5-[4-(2-methyl-2-propanyl)phenyl]-1,5-dihydro-2H-pyrrol-2-one | C32H43NO4

3-Hydroxy-1-(3-isopropoxypropyl)-4-[2-methyl-5-(2-methyl-2-propanyl)benzoyl]-5-[4-(2-methyl-2-propanyl)phenyl]-1,5-dihydro-2H-pyrrol-2-one

  • Molecular FormulaC32H43NO4
  • Average mass505.688 Da
  • Monoisotopic mass505.319214 Da
  • ChemSpider ID34797717

More details:

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

2H-Pyrrol-2-one, 4-[5-(1,1-dimethylethyl)-2-methylbenzoyl]-5-[4-(1,1-dimethylethyl)phenyl]-1,5-dihydro-3-hydroxy-1-[3-(1-methylethoxy)propyl]- [ACD/Index Name]
3-Hydroxy-1-(3-isopropoxypropyl)-4-[2-methyl-5-(2-methyl-2-propanyl)benzoyl]-5-[4-(2-methyl-2-propanyl)phenyl]-1,5-dihydro-2H-pyrrol-2-on [German] [ACD/IUPAC Name]
3-Hydroxy-1-(3-isopropoxypropyl)-4-[2-methyl-5-(2-methyl-2-propanyl)benzoyl]-5-[4-(2-methyl-2-propanyl)phenyl]-1,5-dihydro-2H-pyrrol-2-one [ACD/IUPAC Name]
3-Hydroxy-1-(3-isopropoxypropyl)-4-[2-méthyl-5-(2-méthyl-2-propanyl)benzoyl]-5-[4-(2-méthyl-2-propanyl)phényl]-1,5-dihydro-2H-pyrrol-2-one [French] [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: 646.7±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.0 mmHg at 25°C
Enthalpy of Vaporization: 100.2±3.0 kJ/mol
Flash Point: 344.9±31.5 °C
Index of Refraction: 1.554
Molar Refractivity: 148.6±0.3 cm3
#H bond acceptors: 5
#H bond donors: 1
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 2
ACD/LogP: 7.65
ACD/LogD (pH 5.5): 5.55
ACD/BCF (pH 5.5): 5467.42
ACD/KOC (pH 5.5): 8346.64
ACD/LogD (pH 7.4): 3.79
ACD/BCF (pH 7.4): 94.32
ACD/KOC (pH 7.4): 143.98
Polar Surface Area: 67 Å2
Polarizability: 58.9±0.5 10-24cm3
Surface Tension: 42.9±3.0 dyne/cm
Molar Volume: 463.7±3.0 cm3

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