ChemSpider 2D Image | (4E)-5-(4-Butoxy-3-ethoxyphenyl)-4-[2,3-dihydro-1,4-benzodioxin-6-yl(hydroxy)methylene]-1-(2-methoxyethyl)-2,3-pyrrolidinedione | C28H33NO8

(4E)-5-(4-Butoxy-3-ethoxyphenyl)-4-[2,3-dihydro-1,4-benzodioxin-6-yl(hydroxy)methylene]-1-(2-methoxyethyl)-2,3-pyrrolidinedione

  • Molecular FormulaC28H33NO8
  • Average mass511.564 Da
  • Monoisotopic mass511.220612 Da
  • ChemSpider ID4746053

  • Double-bond stereo - Double-bond stereo

More details:

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

(4E)-5-(4-Butoxy-3-ethoxyphenyl)-4-[2,3-dihydro-1,4-benzodioxin-6-yl(hydroxy)methylen]-1-(2-methoxyethyl)-2,3-pyrrolidindion [German] [ACD/IUPAC Name]
(4E)-5-(4-Butoxy-3-ethoxyphenyl)-4-[2,3-dihydro-1,4-benzodioxin-6-yl(hydroxy)methylene]-1-(2-methoxyethyl)-2,3-pyrrolidinedione [ACD/IUPAC Name]
(4E)-5-(4-Butoxy-3-éthoxyphényl)-4-[2,3-dihydro-1,4-benzodioxin-6-yl(hydroxy)méthylène]-1-(2-méthoxyéthyl)-2,3-pyrrolidinedione [French] [ACD/IUPAC Name]
2,3-Pyrrolidinedione, 5-(4-butoxy-3-ethoxyphenyl)-4-[(2,3-dihydro-1,4-benzodioxin-6-yl)hydroxymethylene]-1-(2-methoxyethyl)-, (4E)- [ACD/Index Name]
(4E)-5-(4-butoxy-3-ethoxyphenyl)-4-[2,3-dihydro-1,4-benzodioxin-6-yl(hydroxy)methylidene]-1-(2-methoxyethyl)pyrrolidine-2,3-dione

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

    Density: 1.3±0.1 g/cm3
    Boiling Point: 656.3±65.0 °C at 760 mmHg
    Vapour Pressure: 0.0±2.1 mmHg at 25°C
    Enthalpy of Vaporization: 101.5±3.0 kJ/mol
    Flash Point: 350.7±34.3 °C
    Index of Refraction: 1.579
    Molar Refractivity: 135.9±0.3 cm3
    #H bond acceptors: 9
    #H bond donors: 1
    #Freely Rotating Bonds: 11
    #Rule of 5 Violations: 1
    ACD/LogP: 4.78
    ACD/LogD (pH 5.5): 3.18
    ACD/BCF (pH 5.5): 154.56
    ACD/KOC (pH 5.5): 1282.36
    ACD/LogD (pH 7.4): 3.05
    ACD/BCF (pH 7.4): 114.26
    ACD/KOC (pH 7.4): 947.96
    Polar Surface Area: 104 Å2
    Polarizability: 53.9±0.5 10-24cm3
    Surface Tension: 49.7±3.0 dyne/cm
    Molar Volume: 409.0±3.0 cm3

    Click to predict properties on the Chemicalize site


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