ChemSpider 2D Image | tert-butyl 2-(2-oxocyclohexyl)azepane-1-carboxylate | C17H29NO3

tert-butyl 2-(2-oxocyclohexyl)azepane-1-carboxylate

  • Molecular FormulaC17H29NO3
  • Average mass295.417 Da
  • Monoisotopic mass295.214752 Da
  • ChemSpider ID35500310

More details:

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

1517685-08-3 [RN]
1H-Azepine-1-carboxylic acid, hexahydro-2-(2-oxocyclohexyl)-, 1,1-dimethylethyl ester [ACD/Index Name]
2-(2-Oxocyclohexyl)-1-azépanecarboxylate de 2-méthyl-2-propanyle [French] [ACD/IUPAC Name]
2-Methyl-2-propanyl 2-(2-oxocyclohexyl)-1-azepanecarboxylate [ACD/IUPAC Name]
2-Methyl-2-propanyl-2-(2-oxocyclohexyl)-1-azepancarboxylat [German] [ACD/IUPAC Name]
tert-butyl 2-(2-oxocyclohexyl)azepane-1-carboxylate
2-(2-Oxo-cyclohexyl)-azepane-1-carboxylic acid tert-butyl ester
AKOS018095663
MFCD27981064

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

    Density: 1.1±0.1 g/cm3
    Boiling Point: 404.2±28.0 °C at 760 mmHg
    Vapour Pressure: 0.0±0.9 mmHg at 25°C
    Enthalpy of Vaporization: 65.6±3.0 kJ/mol
    Flash Point: 198.2±24.0 °C
    Index of Refraction: 1.499
    Molar Refractivity: 81.9±0.3 cm3
    #H bond acceptors: 4
    #H bond donors: 0
    #Freely Rotating Bonds: 3
    #Rule of 5 Violations: 0
    ACD/LogP: 3.03
    ACD/LogD (pH 5.5): 3.28
    ACD/BCF (pH 5.5): 182.34
    ACD/KOC (pH 5.5): 1445.24
    ACD/LogD (pH 7.4): 3.28
    ACD/BCF (pH 7.4): 182.34
    ACD/KOC (pH 7.4): 1445.24
    Polar Surface Area: 47 Å2
    Polarizability: 32.5±0.5 10-24cm3
    Surface Tension: 39.9±3.0 dyne/cm
    Molar Volume: 279.0±3.0 cm3

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