ChemSpider 2D Image | (E)-{1-[3-(Dimethylammonio)propyl]-2-[3-ethoxy-4-(pentyloxy)phenyl]-4,5-dioxo-3-pyrrolidinylidene}(2-methyl-2,3-dihydro-1-benzofuran-5-yl)methanolate | C32H42N2O6

(E)-{1-[3-(Dimethylammonio)propyl]-2-[3-ethoxy-4-(pentyloxy)phenyl]-4,5-dioxo-3-pyrrolidinylidene}(2-methyl-2,3-dihydro-1-benzofuran-5-yl)methanolate

  • Molecular FormulaC32H42N2O6
  • Average mass550.686 Da
  • Monoisotopic mass550.304260 Da
  • ChemSpider ID4793458

  • Double-bond stereo - Double-bond stereo

More details:

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

(E)-{1-[3-(Dimethylammonio)propyl]-2-[3-ethoxy-4-(pentyloxy)phenyl]-4,5-dioxo-3-pyrrolidinyliden}(2-methyl-2,3-dihydro-1-benzofuran-5-yl)methanolat [German] [ACD/IUPAC Name]
(E)-{1-[3-(Dimethylammonio)propyl]-2-[3-ethoxy-4-(pentyloxy)phenyl]-4,5-dioxo-3-pyrrolidinylidene}(2-methyl-2,3-dihydro-1-benzofuran-5-yl)methanolate [ACD/IUPAC Name]
(E)-{1-[3-(Diméthylammonio)propyl]-2-[3-éthoxy-4-(pentyloxy)phényl]-4,5-dioxo-3-pyrrolidinylidène}(2-méthyl-2,3-dihydro-1-benzofuran-5-yl)méthanolate [French] [ACD/IUPAC Name]
1-Pyrrolidinepropanaminium, 3-[(2,3-dihydro-2-methyl-5-benzofuranyl)hydroxymethylene]-2-[3-ethoxy-4-(pentyloxy)phenyl]-N,N-dimethyl-4,5-dioxo-, inner salt, (3E)- [ACD/Index Name]
(4E)-1-[3-(dimethylamino)propyl]-5-(3-ethoxy-4-pentoxyphenyl)-4-[hydroxy-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)methylidene]pyrrolidine-2,3-dione
(E)-{1-[3-(dimethylammonio)propyl]-2-[3-ethoxy-4-(pentyloxy)phenyl]-4,5-dioxopyrrolidin-3-ylidene}(2-methyl-2,3-dihydro-1-benzofuran-5-yl)methanolate

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

    Density:
    Boiling Point: 680.1±65.0 °C at 760 mmHg
    Vapour Pressure: 0.0±2.2 mmHg at 25°C
    Enthalpy of Vaporization: 104.8±3.0 kJ/mol
    Flash Point: 365.1±34.3 °C
    Index of Refraction:
    Molar Refractivity:
    #H bond acceptors: 8
    #H bond donors: 1
    #Freely Rotating Bonds: 13
    #Rule of 5 Violations: 2
    ACD/LogP: 6.26
    ACD/LogD (pH 5.5): 2.04
    ACD/BCF (pH 5.5): 3.98
    ACD/KOC (pH 5.5): 13.06
    ACD/LogD (pH 7.4): 3.12
    ACD/BCF (pH 7.4): 47.02
    ACD/KOC (pH 7.4): 154.21
    Polar Surface Area: 93 Å2
    Polarizability:
    Surface Tension:
    Molar Volume:

    Click to predict properties on the Chemicalize site


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