ChemSpider 2D Image | Dimethyl 4,4'-[(2,5-dihydroxy-3,6-dioxo-1,4-cyclohexadiene-1,4-diyl)bis(3-methoxy-3-oxo-1,1-propanediyl)]dibenzoate | C30H28O12

Dimethyl 4,4'-[(2,5-dihydroxy-3,6-dioxo-1,4-cyclohexadiene-1,4-diyl)bis(3-methoxy-3-oxo-1,1-propanediyl)]dibenzoate

  • Molecular FormulaC30H28O12
  • Average mass580.536 Da
  • Monoisotopic mass580.158081 Da
  • ChemSpider ID34496652

More details:

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

1,4-Cyclohexadiene-1,4-dipropanoic acid, 2,5-dihydroxy-β,β'-bis[4-(methoxycarbonyl)phenyl]-3,6-dioxo-, dimethyl ester [ACD/Index Name]
4,4'-[(2,5-Dihydroxy-3,6-dioxo-1,4-cyclohexadiène-1,4-diyl)bis(3-méthoxy-3-oxo-1,1-propanediyl)]dibenzoate de diméthyle [French] [ACD/IUPAC Name]
Dimethyl 4,4'-[(2,5-dihydroxy-3,6-dioxo-1,4-cyclohexadiene-1,4-diyl)bis(3-methoxy-3-oxo-1,1-propanediyl)]dibenzoate [ACD/IUPAC Name]
Dimethyl-4,4'-[(2,5-dihydroxy-3,6-dioxo-1,4-cyclohexadien-1,4-diyl)bis(3-methoxy-3-oxo-1,1-propandiyl)]dibenzoat [German] [ACD/IUPAC Name]
1676085-96-3 [RN]
dimethyl 4,4'-((2,5-dihydroxy-3,6-dioxocyclohexa-1,4-diene-1,4-diyl)bis(3-methoxy-3-oxopropane-1,1-diyl))dibenzoate
methyl 4-[1-[2,5-dihydroxy-4-[3-methoxy-1-(4-methoxycarbonylphenyl)-3-oxopropyl]-3,6-dioxocyclohexa-1,4-dien-1-yl]-3-methoxy-3-oxopropyl]benzoate

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

    Density: 1.4±0.1 g/cm3
    Boiling Point: 751.8±60.0 °C at 760 mmHg
    Vapour Pressure: 0.0±2.6 mmHg at 25°C
    Enthalpy of Vaporization: 115.0±3.0 kJ/mol
    Flash Point: 243.1±26.4 °C
    Index of Refraction: 1.614
    Molar Refractivity: 143.5±0.3 cm3
    #H bond acceptors: 12
    #H bond donors: 2
    #Freely Rotating Bonds: 14
    #Rule of 5 Violations: 3
    ACD/LogP: 5.13
    ACD/LogD (pH 5.5): -0.42
    ACD/BCF (pH 5.5): 1.00
    ACD/KOC (pH 5.5): 1.00
    ACD/LogD (pH 7.4): -0.55
    ACD/BCF (pH 7.4): 1.00
    ACD/KOC (pH 7.4): 1.00
    Polar Surface Area: 180 Å2
    Polarizability: 56.9±0.5 10-24cm3
    Surface Tension: 64.7±3.0 dyne/cm
    Molar Volume: 411.9±3.0 cm3

    Click to predict properties on the Chemicalize site


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