ChemSpider 2D Image | Dimethyl 3,3'-(2,5-dihydroxy-3,6-dioxo-1,4-cyclohexadiene-1,4-diyl)bis[3-(4-isopropoxyphenyl)propanoate] | C32H36O10

Dimethyl 3,3'-(2,5-dihydroxy-3,6-dioxo-1,4-cyclohexadiene-1,4-diyl)bis[3-(4-isopropoxyphenyl)propanoate]

  • Molecular FormulaC32H36O10
  • Average mass580.622 Da
  • Monoisotopic mass580.230835 Da
  • ChemSpider ID34497107

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-(1-methylethoxy)phenyl]-3,6-dioxo-, dimethyl ester [ACD/Index Name]
3,3'-(2,5-Dihydroxy-3,6-dioxo-1,4-cyclohexadiène-1,4-diyl)bis[3-(4-isopropoxyphényl)propanoate] de diméthyle [French] [ACD/IUPAC Name]
Dimethyl 3,3'-(2,5-dihydroxy-3,6-dioxo-1,4-cyclohexadiene-1,4-diyl)bis[3-(4-isopropoxyphenyl)propanoate] [ACD/IUPAC Name]
Dimethyl-3,3'-(2,5-dihydroxy-3,6-dioxo-1,4-cyclohexadien-1,4-diyl)bis[3-(4-isopropoxyphenyl)propanoat] [German] [ACD/IUPAC Name]
1676083-09-2 [RN]
dimethyl 3,3'-(2,5-dihydroxy-3,6-dioxocyclohexa-1,4-diene-1,4-diyl)bis(3-(4-isopropoxyphenyl)propanoate)
methyl 3-[2,5-dihydroxy-4-[3-methoxy-3-oxo-1-(4-propan-2-yloxyphenyl)propyl]-3,6-dioxocyclohexa-1,4-dien-1-yl]-3-(4-propan-2-yloxyphenyl)propanoate

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

    Density: 1.3±0.1 g/cm3
    Boiling Point: 727.1±60.0 °C at 760 mmHg
    Vapour Pressure: 0.0±2.5 mmHg at 25°C
    Enthalpy of Vaporization: 111.4±3.0 kJ/mol
    Flash Point: 229.6±26.4 °C
    Index of Refraction: 1.588
    Molar Refractivity: 151.8±0.3 cm3
    #H bond acceptors: 10
    #H bond donors: 2
    #Freely Rotating Bonds: 14
    #Rule of 5 Violations: 3
    ACD/LogP: 6.76
    ACD/LogD (pH 5.5): 0.90
    ACD/BCF (pH 5.5): 1.00
    ACD/KOC (pH 5.5): 1.00
    ACD/LogD (pH 7.4): 0.60
    ACD/BCF (pH 7.4): 1.00
    ACD/KOC (pH 7.4): 1.00
    Polar Surface Area: 146 Å2
    Polarizability: 60.2±0.5 10-24cm3
    Surface Tension: 56.1±3.0 dyne/cm
    Molar Volume: 450.9±3.0 cm3

    Click to predict properties on the Chemicalize site


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