ChemSpider 2D Image | 1-[(4E)-3-Methylene-4-(2-propen-1-ylidene)-1-pyrrolidinyl]-4-{1-methyl-4-[4-(4-methylcyclohexyl)benzyl]cyclohexyl}-1-butanone | C33H47NO

1-[(4E)-3-Methylene-4-(2-propen-1-ylidene)-1-pyrrolidinyl]-4-{1-methyl-4-[4-(4-methylcyclohexyl)benzyl]cyclohexyl}-1-butanone

  • Molecular FormulaC33H47NO
  • Average mass473.732 Da
  • Monoisotopic mass473.365753 Da
  • ChemSpider ID129121340

More details:

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

1-[(4E)-3-Methylen-4-(2-propen-1-yliden)-1-pyrrolidinyl]-4-{1-methyl-4-[4-(4-methylcyclohexyl)benzyl]cyclohexyl}-1-butanon [German] [ACD/IUPAC Name]
1-[(4E)-3-Methylene-4-(2-propen-1-ylidene)-1-pyrrolidinyl]-4-{1-methyl-4-[4-(4-methylcyclohexyl)benzyl]cyclohexyl}-1-butanone [ACD/IUPAC Name]
1-[(4E)-3-Méthylène-4-(2-propén-1-ylidène)-1-pyrrolidinyl]-4-{1-méthyl-4-[4-(4-méthylcyclohexyl)benzyl]cyclohexyl}-1-butanone [French] [ACD/IUPAC Name]
1-Butanone, 1-[(4E)-3-methylene-4-(2-propen-1-ylidene)-1-pyrrolidinyl]-4-[1-methyl-4-[[4-(4-methylcyclohexyl)phenyl]methyl]cyclohexyl]- [ACD/Index Name]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.0±0.1 g/cm3
Boiling Point: 613.7±44.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.8 mmHg at 25°C
Enthalpy of Vaporization: 91.1±3.0 kJ/mol
Flash Point: 245.8±19.0 °C
Index of Refraction: 1.557
Molar Refractivity: 148.6±0.4 cm3
#H bond acceptors: 2
#H bond donors: 0
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 1
ACD/LogP: 10.62
ACD/LogD (pH 5.5): 9.26
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 2608042.25
ACD/LogD (pH 7.4): 9.26
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 2608045.00
Polar Surface Area: 20 Å2
Polarizability: 58.9±0.5 10-24cm3
Surface Tension: 42.0±5.0 dyne/cm
Molar Volume: 461.7±5.0 cm3

Click to predict properties on the Chemicalize site


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