ChemSpider 2D Image | 4-(4-Butylbenzoyl)-1-cyclododecyl-3-hydroxy-5-[4-(2-methyl-2-propanyl)phenyl]-1,5-dihydro-2H-pyrrol-2-one | C37H51NO3

4-(4-Butylbenzoyl)-1-cyclododecyl-3-hydroxy-5-[4-(2-methyl-2-propanyl)phenyl]-1,5-dihydro-2H-pyrrol-2-one

  • Molecular FormulaC37H51NO3
  • Average mass557.806 Da
  • Monoisotopic mass557.386902 Da
  • ChemSpider ID118224565

More details:

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

2H-Pyrrol-2-one, 4-(4-butylbenzoyl)-1-cyclododecyl-5-[4-(1,1-dimethylethyl)phenyl]-1,5-dihydro-3-hydroxy- [ACD/Index Name]
4-(4-Butylbenzoyl)-1-cyclododecyl-3-hydroxy-5-[4-(2-methyl-2-propanyl)phenyl]-1,5-dihydro-2H-pyrrol-2-on [German] [ACD/IUPAC Name]
4-(4-Butylbenzoyl)-1-cyclododecyl-3-hydroxy-5-[4-(2-methyl-2-propanyl)phenyl]-1,5-dihydro-2H-pyrrol-2-one [ACD/IUPAC Name]
4-(4-Butylbenzoyl)-1-cyclododécyl-3-hydroxy-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: 701.8±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.3 mmHg at 25°C
Enthalpy of Vaporization: 107.9±3.0 kJ/mol
Flash Point: 378.3±32.9 °C
Index of Refraction: 1.556
Molar Refractivity: 168.0±0.3 cm3
#H bond acceptors: 4
#H bond donors: 1
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 2
ACD/LogP: 11.89
ACD/LogD (pH 5.5): 8.19
ACD/BCF (pH 5.5): 550382.31
ACD/KOC (pH 5.5): 226544.52
ACD/LogD (pH 7.4): 6.42
ACD/BCF (pH 7.4): 9494.29
ACD/KOC (pH 7.4): 3907.97
Polar Surface Area: 58 Å2
Polarizability: 66.6±0.5 10-24cm3
Surface Tension: 43.5±3.0 dyne/cm
Molar Volume: 522.8±3.0 cm3

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