ChemSpider 2D Image | (4E)-4-[2,3-Dihydro-1,4-benzodioxin-6-yl(hydroxy)methylene]-5-[3-ethoxy-4-(pentyloxy)phenyl]-1-(2-methoxyethyl)-2,3-pyrrolidinedione | C29H35NO8

(4E)-4-[2,3-Dihydro-1,4-benzodioxin-6-yl(hydroxy)methylene]-5-[3-ethoxy-4-(pentyloxy)phenyl]-1-(2-methoxyethyl)-2,3-pyrrolidinedione

  • Molecular FormulaC29H35NO8
  • Average mass525.590 Da
  • Monoisotopic mass525.236267 Da
  • ChemSpider ID4741468

  • Double-bond stereo - Double-bond stereo

More details:

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

(4E)-4-[2,3-Dihydro-1,4-benzodioxin-6-yl(hydroxy)methylen]-5-[3-ethoxy-4-(pentyloxy)phenyl]-1-(2-methoxyethyl)-2,3-pyrrolidindion [German] [ACD/IUPAC Name]
(4E)-4-[2,3-Dihydro-1,4-benzodioxin-6-yl(hydroxy)methylene]-5-[3-ethoxy-4-(pentyloxy)phenyl]-1-(2-methoxyethyl)-2,3-pyrrolidinedione [ACD/IUPAC Name]
(4E)-4-[2,3-Dihydro-1,4-benzodioxin-6-yl(hydroxy)méthylène]-5-[3-éthoxy-4-(pentyloxy)phényl]-1-(2-méthoxyéthyl)-2,3-pyrrolidinedione [French] [ACD/IUPAC Name]
2,3-Pyrrolidinedione, 4-[(2,3-dihydro-1,4-benzodioxin-6-yl)hydroxymethylene]-5-[3-ethoxy-4-(pentyloxy)phenyl]-1-(2-methoxyethyl)-, (4E)- [ACD/Index Name]
(4E)-4-[2,3-dihydro-1,4-benzodioxin-6-yl(hydroxy)methylidene]-5-(3-ethoxy-4-pentoxyphenyl)-1-(2-methoxyethyl)pyrrolidine-2,3-dione
(4E)-4-[2,3-dihydro-1,4-benzodioxin-6-yl(hydroxy)methylidene]-5-[3-ethoxy-4-(pentyloxy)phenyl]-1-(2-methoxyethyl)pyrrolidine-2,3-dione
713127-74-3 [RN]

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

    Density: 1.2±0.1 g/cm3
    Boiling Point: 664.7±65.0 °C at 760 mmHg
    Vapour Pressure: 0.0±2.1 mmHg at 25°C
    Enthalpy of Vaporization: 102.7±3.0 kJ/mol
    Flash Point: 355.8±34.3 °C
    Index of Refraction: 1.575
    Molar Refractivity: 140.5±0.3 cm3
    #H bond acceptors: 9
    #H bond donors: 1
    #Freely Rotating Bonds: 12
    #Rule of 5 Violations: 2
    ACD/LogP: 5.31
    ACD/LogD (pH 5.5): 4.07
    ACD/BCF (pH 5.5): 730.52
    ACD/KOC (pH 5.5): 3897.91
    ACD/LogD (pH 7.4): 3.94
    ACD/BCF (pH 7.4): 540.02
    ACD/KOC (pH 7.4): 2881.45
    Polar Surface Area: 104 Å2
    Polarizability: 55.7±0.5 10-24cm3
    Surface Tension: 49.0±3.0 dyne/cm
    Molar Volume: 425.5±3.0 cm3

    Click to predict properties on the Chemicalize site


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