ChemSpider 2D Image | (4E)-4-{[4-(Allyloxy)phenyl](hydroxy)methylene}-5-[4-(2-methyl-2-propanyl)phenyl]-1-[3-(4-morpholinyl)propyl]-2,3-pyrrolidinedione | C31H38N2O5

(4E)-4-{[4-(Allyloxy)phenyl](hydroxy)methylene}-5-[4-(2-methyl-2-propanyl)phenyl]-1-[3-(4-morpholinyl)propyl]-2,3-pyrrolidinedione

  • Molecular FormulaC31H38N2O5
  • Average mass518.644 Da
  • Monoisotopic mass518.278076 Da
  • ChemSpider ID4868672

  • Double-bond stereo - Double-bond stereo

More details:

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

(4E)-4-{[4-(Allyloxy)phenyl](hydroxy)methylen}-5-[4-(2-methyl-2-propanyl)phenyl]-1-[3-(4-morpholinyl)propyl]-2,3-pyrrolidindion [German] [ACD/IUPAC Name]
(4E)-4-{[4-(Allyloxy)phenyl](hydroxy)methylene}-5-[4-(2-methyl-2-propanyl)phenyl]-1-[3-(4-morpholinyl)propyl]-2,3-pyrrolidinedione [ACD/IUPAC Name]
(4E)-4-{[4-(Allyloxy)phényl](hydroxy)méthylène}-5-[4-(2-méthyl-2-propanyl)phényl]-1-[3-(4-morpholinyl)propyl]-2,3-pyrrolidinedione [French] [ACD/IUPAC Name]
2,3-Pyrrolidinedione, 5-[4-(1,1-dimethylethyl)phenyl]-4-[hydroxy[4-(2-propen-1-yloxy)phenyl]methylene]-1-[3-(4-morpholinyl)propyl]-, (4E)- [ACD/Index Name]
(E)-[2-(4-tert-butylphenyl)-1-(3-morpholin-4-ium-4-ylpropyl)-4,5-dioxopyrrolidin-3-ylidene]-(4-prop-2-enoxyphenyl)methanolate
(E)-{2-(4-tert-butylphenyl)-1-[3-(morpholin-4-ium-4-yl)propyl]-4,5-dioxopyrrolidin-3-ylidene}[4-(prop-2-en-1-yloxy)phenyl]methanolate

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

    Density: 1.2±0.1 g/cm3
    Boiling Point: 684.8±65.0 °C at 760 mmHg
    Vapour Pressure: 0.0±2.2 mmHg at 25°C
    Enthalpy of Vaporization: 105.5±3.0 kJ/mol
    Flash Point: 368.0±34.3 °C
    Index of Refraction: 1.579
    Molar Refractivity: 147.2±0.3 cm3
    #H bond acceptors: 7
    #H bond donors: 1
    #Freely Rotating Bonds: 10
    #Rule of 5 Violations: 2
    ACD/LogP: 5.47
    ACD/LogD (pH 5.5): 1.62
    ACD/BCF (pH 5.5): 2.85
    ACD/KOC (pH 5.5): 16.52
    ACD/LogD (pH 7.4): 1.23
    ACD/BCF (pH 7.4): 1.15
    ACD/KOC (pH 7.4): 6.66
    Polar Surface Area: 79 Å2
    Polarizability: 58.3±0.5 10-24cm3
    Surface Tension: 47.1±3.0 dyne/cm
    Molar Volume: 443.1±3.0 cm3

    Click to predict properties on the Chemicalize site


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