ChemSpider 2D Image | 5-(2-Chloro-6-fluorophenyl)-1-cyclododecyl-3-hydroxy-4-(3-hydroxybenzoyl)-1,5-dihydro-2H-pyrrol-2-one | C29H33ClFNO4

5-(2-Chloro-6-fluorophenyl)-1-cyclododecyl-3-hydroxy-4-(3-hydroxybenzoyl)-1,5-dihydro-2H-pyrrol-2-one

  • Molecular FormulaC29H33ClFNO4
  • Average mass514.028 Da
  • Monoisotopic mass513.208191 Da
  • ChemSpider ID118377241

More details:

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

2H-Pyrrol-2-one, 5-(2-chloro-6-fluorophenyl)-1-cyclododecyl-1,5-dihydro-3-hydroxy-4-(3-hydroxybenzoyl)- [ACD/Index Name]
5-(2-Chlor-6-fluorphenyl)-1-cyclododecyl-3-hydroxy-4-(3-hydroxybenzoyl)-1,5-dihydro-2H-pyrrol-2-on [German] [ACD/IUPAC Name]
5-(2-Chloro-6-fluorophenyl)-1-cyclododecyl-3-hydroxy-4-(3-hydroxybenzoyl)-1,5-dihydro-2H-pyrrol-2-one [ACD/IUPAC Name]
5-(2-Chloro-6-fluorophényl)-1-cyclododécyl-3-hydroxy-4-(3-hydroxybenzoyl)-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: 1.3±0.1 g/cm3
Boiling Point: 670.7±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.2 mmHg at 25°C
Enthalpy of Vaporization: 103.5±3.0 kJ/mol
Flash Point: 359.4±31.5 °C
Index of Refraction: 1.595
Molar Refractivity: 137.6±0.3 cm3
#H bond acceptors: 5
#H bond donors: 2
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 2
ACD/LogP: 7.70
ACD/LogD (pH 5.5): 5.43
ACD/BCF (pH 5.5): 4422.57
ACD/KOC (pH 5.5): 7170.51
ACD/LogD (pH 7.4): 3.66
ACD/BCF (pH 7.4): 74.82
ACD/KOC (pH 7.4): 121.31
Polar Surface Area: 78 Å2
Polarizability: 54.5±0.5 10-24cm3
Surface Tension: 52.4±3.0 dyne/cm
Molar Volume: 404.9±3.0 cm3

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