ChemSpider 2D Image | Methyl (4E)-1-[2-(1-cyclohexen-1-yl)ethyl]-4-{[1-(2,4-dimethylphenyl)-2,5-dimethyl-1H-pyrrol-3-yl]methylene}-2-methyl-5-oxo-4,5-dihydro-1H-pyrrole-3-carboxylate | C30H36N2O3

Methyl (4E)-1-[2-(1-cyclohexen-1-yl)ethyl]-4-{[1-(2,4-dimethylphenyl)-2,5-dimethyl-1H-pyrrol-3-yl]methylene}-2-methyl-5-oxo-4,5-dihydro-1H-pyrrole-3-carboxylate

  • Molecular FormulaC30H36N2O3
  • Average mass472.618 Da
  • Monoisotopic mass472.272583 Da
  • ChemSpider ID128945494

  • Double-bond stereo - Double-bond stereo

More details:

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

(4E)-1-[2-(1-Cyclohexén-1-yl)éthyl]-4-{[1-(2,4-diméthylphényl)-2,5-diméthyl-1H-pyrrol-3-yl]méthylène}-2-méthyl-5-oxo-4,5-dihydro-1H-pyrrole-3-carboxylate de méthyle [French] [ACD/IUPAC Name]
1H-Pyrrole-3-carboxylic acid, 1-[2-(1-cyclohexen-1-yl)ethyl]-4-[[1-(2,4-dimethylphenyl)-2,5-dimethyl-1H-pyrrol-3-yl]methylene]-4,5-dihydro-2-methyl-5-oxo-, methyl ester, (4E)- [ACD/Index Name]
Methyl (4E)-1-[2-(1-cyclohexen-1-yl)ethyl]-4-{[1-(2,4-dimethylphenyl)-2,5-dimethyl-1H-pyrrol-3-yl]methylene}-2-methyl-5-oxo-4,5-dihydro-1H-pyrrole-3-carboxylate [ACD/IUPAC Name]
Methyl-(4E)-1-[2-(1-cyclohexen-1-yl)ethyl]-4-{[1-(2,4-dimethylphenyl)-2,5-dimethyl-1H-pyrrol-3-yl]methylen}-2-methyl-5-oxo-4,5-dihydro-1H-pyrrol-3-carboxylat [German] [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: 646.3±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.9 mmHg at 25°C
Enthalpy of Vaporization: 95.3±3.0 kJ/mol
Flash Point: 344.7±31.5 °C
Index of Refraction: 1.587
Molar Refractivity: 140.5±0.5 cm3
#H bond acceptors: 5
#H bond donors: 0
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 1
ACD/LogP: 7.68
ACD/LogD (pH 5.5): 6.40
ACD/BCF (pH 5.5): 43363.23
ACD/KOC (pH 5.5): 72582.95
ACD/LogD (pH 7.4): 6.40
ACD/BCF (pH 7.4): 43363.23
ACD/KOC (pH 7.4): 72582.95
Polar Surface Area: 52 Å2
Polarizability: 55.7±0.5 10-24cm3
Surface Tension: 39.2±7.0 dyne/cm
Molar Volume: 418.4±7.0 cm3

Click to predict properties on the Chemicalize site


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