ChemSpider 2D Image | 4-(4-Butylbenzoyl)-1-cyclododecyl-5-(3-ethoxy-4-propoxyphenyl)-3-hydroxy-1,5-dihydro-2H-pyrrol-2-one | C38H53NO5

4-(4-Butylbenzoyl)-1-cyclododecyl-5-(3-ethoxy-4-propoxyphenyl)-3-hydroxy-1,5-dihydro-2H-pyrrol-2-one

  • Molecular FormulaC38H53NO5
  • Average mass603.831 Da
  • Monoisotopic mass603.392395 Da
  • ChemSpider ID117886888

More details:

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

2H-Pyrrol-2-one, 4-(4-butylbenzoyl)-1-cyclododecyl-5-(3-ethoxy-4-propoxyphenyl)-1,5-dihydro-3-hydroxy- [ACD/Index Name]
4-(4-Butylbenzoyl)-1-cyclododecyl-5-(3-ethoxy-4-propoxyphenyl)-3-hydroxy-1,5-dihydro-2H-pyrrol-2-on [German] [ACD/IUPAC Name]
4-(4-Butylbenzoyl)-1-cyclododecyl-5-(3-ethoxy-4-propoxyphenyl)-3-hydroxy-1,5-dihydro-2H-pyrrol-2-one [ACD/IUPAC Name]
4-(4-Butylbenzoyl)-1-cyclododécyl-5-(3-éthoxy-4-propoxyphényl)-3-hydroxy-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: 735.5±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.5 mmHg at 25°C
Enthalpy of Vaporization: 112.6±3.0 kJ/mol
Flash Point: 398.6±32.9 °C
Index of Refraction: 1.552
Molar Refractivity: 176.9±0.3 cm3
#H bond acceptors: 6
#H bond donors: 1
#Freely Rotating Bonds: 12
#Rule of 5 Violations: 2
ACD/LogP: 11.54
ACD/LogD (pH 5.5): 7.72
ACD/BCF (pH 5.5): 245719.97
ACD/KOC (pH 5.5): 127194.09
ACD/LogD (pH 7.4): 5.96
ACD/BCF (pH 7.4): 4238.75
ACD/KOC (pH 7.4): 2194.14
Polar Surface Area: 76 Å2
Polarizability: 70.1±0.5 10-24cm3
Surface Tension: 43.9±3.0 dyne/cm
Molar Volume: 553.6±3.0 cm3

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