ChemSpider 2D Image | Dimethyl 4,4'-(1,4-piperazinediyl)bis(3-butyryl-6,6-dimethyl-2-oxo-3-cyclohexene-1-carboxylate) | C32H46N2O8

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

  • Molecular FormulaC32H46N2O8
  • Average mass586.716 Da
  • Monoisotopic mass586.325439 Da
  • ChemSpider ID2514933

More details:

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

3-Cyclohexene-1-carboxylic acid, 4,4'-(1,4-piperazinediyl)bis[6,6-dimethyl-2-oxo-3-(1-oxobutyl)-, dimethyl ester [ACD/Index Name]
4,4'-(1,4-Pipérazinediyl)bis(3-butyryl-6,6-diméthyl-2-oxo-3-cyclohexène-1-carboxylate) de diméthyle [French] [ACD/IUPAC Name]
Dimethyl 4,4'-(1,4-piperazinediyl)bis(3-butyryl-6,6-dimethyl-2-oxo-3-cyclohexene-1-carboxylate) [ACD/IUPAC Name]
Dimethyl-4,4'-(1,4-piperazindiyl)bis(3-butyryl-6,6-dimethyl-2-oxo-3-cyclohexen-1-carboxylat) [German] [ACD/IUPAC Name]
413594-11-3 [RN]
methyl 3-butanoyl-4-[4-(2-butanoyl-4-methoxycarbonyl-5,5-dimethyl-3-oxocyclohexen-1-yl)piperazin-1-yl]-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: 687.7±55.0 °C at 760 mmHg
    Vapour Pressure: 0.0±2.1 mmHg at 25°C
    Enthalpy of Vaporization: 100.8±3.0 kJ/mol
    Flash Point: 369.7±31.5 °C
    Index of Refraction: 1.527
    Molar Refractivity: 153.9±0.3 cm3
    #H bond acceptors: 10
    #H bond donors: 0
    #Freely Rotating Bonds: 12
    #Rule of 5 Violations: 2
    ACD/LogP: 4.64
    ACD/LogD (pH 5.5): 2.40
    ACD/BCF (pH 5.5): 15.28
    ACD/KOC (pH 5.5): 79.76
    ACD/LogD (pH 7.4): 3.70
    ACD/BCF (pH 7.4): 305.07
    ACD/KOC (pH 7.4): 1591.90
    Polar Surface Area: 127 Å2
    Polarizability: 61.0±0.5 10-24cm3
    Surface Tension: 44.9±3.0 dyne/cm
    Molar Volume: 500.9±3.0 cm3

    Click to predict properties on the Chemicalize site


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