ChemSpider 2D Image | Methyl (4Z)-5-butyryl-4-(ethoxyimino)-2,2-dimethyl-6-oxocyclohexanecarboxylate | C16H25NO5

Methyl (4Z)-5-butyryl-4-(ethoxyimino)-2,2-dimethyl-6-oxocyclohexanecarboxylate

  • Molecular FormulaC16H25NO5
  • Average mass311.373 Da
  • Monoisotopic mass311.173279 Da
  • ChemSpider ID22870741

  • Double-bond stereo - Double-bond stereo

More details:

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

(4Z)-5-Butyryl-4-(éthoxyimino)-2,2-diméthyl-6-oxocyclohexanecarboxylate de méthyle [French] [ACD/IUPAC Name]
Cyclohexanecarboxylic acid, 4-(ethoxyimino)-2,2-dimethyl-6-oxo-5-(1-oxobutyl)-, methyl ester, (4Z)- [ACD/Index Name]
Methyl (4Z)-5-butyryl-4-(ethoxyimino)-2,2-dimethyl-6-oxocyclohexanecarboxylate [ACD/IUPAC Name]
Methyl-(4Z)-5-butyryl-4-(ethoxyimino)-2,2-dimethyl-6-oxocyclohexancarboxylat [German] [ACD/IUPAC Name]
(Z)-methyl 5-butyryl-4-(ethoxyimino)-2,2-dimethyl-6-oxocyclohexanecarboxylate
METHYL (4Z)-5-BUTANOYL-4-ETHOXYIMINO-2,2-DIMETHYL-6-OXOCYCLOHEXANE-1-CARBOXYLATE

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

    Density: 1.1±0.1 g/cm3
    Boiling Point: 414.1±55.0 °C at 760 mmHg
    Vapour Pressure: 0.0±1.0 mmHg at 25°C
    Enthalpy of Vaporization: 66.7±3.0 kJ/mol
    Flash Point: 157.4±25.9 °C
    Index of Refraction: 1.512
    Molar Refractivity: 81.7±0.5 cm3
    #H bond acceptors: 6
    #H bond donors: 0
    #Freely Rotating Bonds: 7
    #Rule of 5 Violations: 0
    ACD/LogP: 3.43
    ACD/LogD (pH 5.5): 3.01
    ACD/BCF (pH 5.5): 113.26
    ACD/KOC (pH 5.5): 1018.73
    ACD/LogD (pH 7.4): 2.48
    ACD/BCF (pH 7.4): 33.27
    ACD/KOC (pH 7.4): 299.23
    Polar Surface Area: 82 Å2
    Polarizability: 32.4±0.5 10-24cm3
    Surface Tension: 36.6±7.0 dyne/cm
    Molar Volume: 272.2±7.0 cm3

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