ChemSpider 2D Image | Dimethyl 4,4'-(1,4-phenylenediimino)bis(3-butyryl-6,6-dimethyl-2-oxo-3-cyclohexene-1-carboxylate) | C34H44N2O8

Dimethyl 4,4'-(1,4-phenylenediimino)bis(3-butyryl-6,6-dimethyl-2-oxo-3-cyclohexene-1-carboxylate)

  • Molecular FormulaC34H44N2O8
  • Average mass608.722 Da
  • Monoisotopic mass608.309753 Da
  • ChemSpider ID2112222

More details:

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

3-Cyclohexene-1-carboxylic acid, 4,4'-(1,4-phenylenediimino)bis[6,6-dimethyl-2-oxo-3-(1-oxobutyl)-, dimethyl ester [ACD/Index Name]
4,4'-(1,4-Phénylènediimino)bis(3-butyryl-6,6-diméthyl-2-oxo-3-cyclohexène-1-carboxylate) de diméthyle [French] [ACD/IUPAC Name]
Dimethyl 4,4'-(1,4-phenylenediimino)bis(3-butyryl-6,6-dimethyl-2-oxo-3-cyclohexene-1-carboxylate) [ACD/IUPAC Name]
Dimethyl-4,4'-(1,4-phenylendiimino)bis(3-butyryl-6,6-dimethyl-2-oxo-3-cyclohexen-1-carboxylat) [German] [ACD/IUPAC Name]
382640-14-4 [RN]
methyl 3-butanoyl-4-[4-[(2-butanoyl-4-methoxycarbonyl-5,5-dimethyl-3-oxocyclohexen-1-yl)amino]anilino]-6,6-dimethyl-2-oxocyclohex-3-ene-1-carboxylate

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

    Density: 1.2±0.1 g/cm3
    Boiling Point: 713.6±60.0 °C at 760 mmHg
    Vapour Pressure: 0.0±2.3 mmHg at 25°C
    Enthalpy of Vaporization: 104.3±3.0 kJ/mol
    Flash Point: 385.4±32.9 °C
    Index of Refraction: 1.564
    Molar Refractivity: 164.5±0.3 cm3
    #H bond acceptors: 10
    #H bond donors: 2
    #Freely Rotating Bonds: 14
    #Rule of 5 Violations: 2
    ACD/LogP: 4.14
    ACD/LogD (pH 5.5): 4.28
    ACD/BCF (pH 5.5): 1048.06
    ACD/KOC (pH 5.5): 5053.31
    ACD/LogD (pH 7.4): 4.27
    ACD/BCF (pH 7.4): 1039.93
    ACD/KOC (pH 7.4): 5014.11
    Polar Surface Area: 145 Å2
    Polarizability: 65.2±0.5 10-24cm3
    Surface Tension: 49.7±3.0 dyne/cm
    Molar Volume: 505.5±3.0 cm3

    Click to predict properties on the Chemicalize site


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