ChemSpider 2D Image | Methyl (4Z)-1-[2-(3,4-dimethoxyphenyl)ethyl]-4-(4-heptylbenzylidene)-2-methyl-5-oxo-4,5-dihydro-1H-pyrrole-3-carboxylate | C31H39NO5

Methyl (4Z)-1-[2-(3,4-dimethoxyphenyl)ethyl]-4-(4-heptylbenzylidene)-2-methyl-5-oxo-4,5-dihydro-1H-pyrrole-3-carboxylate

  • Molecular FormulaC31H39NO5
  • Average mass505.645 Da
  • Monoisotopic mass505.282837 Da
  • ChemSpider ID4646410

  • Double-bond stereo - Double-bond stereo

More details:

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

(4Z)-1-[2-(3,4-Diméthoxyphényl)éthyl]-4-(4-heptylbenzylidène)-2-méthyl-5-oxo-4,5-dihydro-1H-pyrrole-3-carboxylate de méthyle [French] [ACD/IUPAC Name]
1H-Pyrrole-3-carboxylic acid, 1-[2-(3,4-dimethoxyphenyl)ethyl]-4-[(4-heptylphenyl)methylene]-4,5-dihydro-2-methyl-5-oxo-, methyl ester, (4Z)- [ACD/Index Name]
Methyl (4Z)-1-[2-(3,4-dimethoxyphenyl)ethyl]-4-(4-heptylbenzylidene)-2-methyl-5-oxo-4,5-dihydro-1H-pyrrole-3-carboxylate [ACD/IUPAC Name]
Methyl-(4Z)-1-[2-(3,4-dimethoxyphenyl)ethyl]-4-(4-heptylbenzyliden)-2-methyl-5-oxo-4,5-dihydro-1H-pyrrol-3-carboxylat [German] [ACD/IUPAC Name]
691858-17-0 [RN]
methyl (4Z)-1-[2-(3,4-dimethoxyphenyl)ethyl]-4-[(4-heptylphenyl)methylidene]-2-methyl-5-oxo-4,5-dihydro-1H-pyrrole-3-carboxylate
methyl 1-(3,4-dimethoxyphenethyl)-3-[(Z)-(4-heptylphenyl)methylidene]-5-methyl-2-oxo-1,2-dihydro-3H-pyrrole-4-carboxylate
MFCD03012790 [MDL number]

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

    Density: 1.1±0.1 g/cm3
    Boiling Point: 655.8±55.0 °C at 760 mmHg
    Vapour Pressure: 0.0±2.0 mmHg at 25°C
    Enthalpy of Vaporization: 96.6±3.0 kJ/mol
    Flash Point: 350.4±31.5 °C
    Index of Refraction: 1.567
    Molar Refractivity: 147.9±0.3 cm3
    #H bond acceptors: 6
    #H bond donors: 0
    #Freely Rotating Bonds: 14
    #Rule of 5 Violations: 2
    ACD/LogP: 7.64
    ACD/LogD (pH 5.5): 7.21
    ACD/BCF (pH 5.5): 178149.81
    ACD/KOC (pH 5.5): 199566.84
    ACD/LogD (pH 7.4): 7.21
    ACD/BCF (pH 7.4): 178149.81
    ACD/KOC (pH 7.4): 199566.84
    Polar Surface Area: 65 Å2
    Polarizability: 58.6±0.5 10-24cm3
    Surface Tension: 44.0±3.0 dyne/cm
    Molar Volume: 452.6±3.0 cm3

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