ChemSpider 2D Image | (E)-{2-[3-Ethoxy-4-(3-methylbutoxy)phenyl]-4,5-dioxo-1-(4-pyridiniumylmethyl)-3-pyrrolidinylidene}(2-methyl-2,3-dihydro-1-benzofuran-5-yl)methanolate | C33H36N2O6

(E)-{2-[3-Ethoxy-4-(3-methylbutoxy)phenyl]-4,5-dioxo-1-(4-pyridiniumylmethyl)-3-pyrrolidinylidene}(2-methyl-2,3-dihydro-1-benzofuran-5-yl)methanolate

  • Molecular FormulaC33H36N2O6
  • Average mass556.649 Da
  • Monoisotopic mass556.257324 Da
  • ChemSpider ID4858795

  • Double-bond stereo - Double-bond stereo

More details:

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

(E)-{2-[3-Ethoxy-4-(3-methylbutoxy)phenyl]-4,5-dioxo-1-(4-pyridiniumylmethyl)-3-pyrrolidinyliden}(2-methyl-2,3-dihydro-1-benzofuran-5-yl)methanolat [German] [ACD/IUPAC Name]
(E)-{2-[3-Ethoxy-4-(3-methylbutoxy)phenyl]-4,5-dioxo-1-(4-pyridiniumylmethyl)-3-pyrrolidinylidene}(2-methyl-2,3-dihydro-1-benzofuran-5-yl)methanolate [ACD/IUPAC Name]
(E)-{2-[3-Éthoxy-4-(3-méthylbutoxy)phényl]-4,5-dioxo-1-(4-pyridiniumylméthyl)-3-pyrrolidinylidène}(2-méthyl-2,3-dihydro-1-benzofuran-5-yl)méthanolate [French] [ACD/IUPAC Name]
Pyridinium, 4-[[(3E)-3-[(2,3-dihydro-2-methyl-5-benzofuranyl)hydroxymethylene]-2-[3-ethoxy-4-(3-methylbutoxy)phenyl]-4,5-dioxo-1-pyrrolidinyl]methyl]-, inner salt [ACD/Index Name]
(4E)-5-[3-ethoxy-4-(3-methylbutoxy)phenyl]-4-[hydroxy-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)methylidene]-1-(pyridin-4-ylmethyl)pyrrolidine-2,3-dione
(E)-{2-[3-ethoxy-4-(3-methylbutoxy)phenyl]-4,5-dioxo-1-(pyridinium-4-ylmethyl)pyrrolidin-3-ylidene}(2-methyl-2,3-dihydro-1-benzofuran-5-yl)methanolate
1051377-32-2 [RN]

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

    Density:
    Boiling Point: 724.1±70.0 °C at 760 mmHg
    Vapour Pressure: 0.0±2.5 mmHg at 25°C
    Enthalpy of Vaporization: 111.0±3.0 kJ/mol
    Flash Point: 391.7±35.7 °C
    Index of Refraction:
    Molar Refractivity:
    #H bond acceptors: 8
    #H bond donors: 1
    #Freely Rotating Bonds: 10
    #Rule of 5 Violations: 2
    ACD/LogP: 6.05
    ACD/LogD (pH 5.5): 4.11
    ACD/BCF (pH 5.5): 746.66
    ACD/KOC (pH 5.5): 3739.52
    ACD/LogD (pH 7.4): 4.06
    ACD/BCF (pH 7.4): 662.09
    ACD/KOC (pH 7.4): 3315.94
    Polar Surface Area: 102 Å2
    Polarizability:
    Surface Tension:
    Molar Volume:

    Click to predict properties on the Chemicalize site


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