ChemSpider 2D Image | tert-Butyl 3-(2-ethoxy-2-oxoethylidene)-8-azabicyclo[3.2.1]octane-8-carboxylate | C16H25NO4

tert-Butyl 3-(2-ethoxy-2-oxoethylidene)-8-azabicyclo[3.2.1]octane-8-carboxylate

  • Molecular FormulaC16H25NO4
  • Average mass295.374 Da
  • Monoisotopic mass295.178345 Da
  • ChemSpider ID57580367

More details:

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

2-Methyl-2-propanyl 3-(2-ethoxy-2-oxoethylidene)-8-azabicyclo[3.2.1]octane-8-carboxylate [ACD/IUPAC Name]
2-Methyl-2-propanyl-3-(2-ethoxy-2-oxoethyliden)-8-azabicyclo[3.2.1]octan-8-carboxylat [German] [ACD/IUPAC Name]
3-(2-Éthoxy-2-oxoéthylidène)-8-azabicyclo[3.2.1]octane-8-carboxylate de 2-méthyl-2-propanyle [French] [ACD/IUPAC Name]
865106-60-1 [RN]
8-Azabicyclo[3.2.1]octane-8-carboxylic acid, 3-(2-ethoxy-2-oxoethylidene)-, 1,1-dimethylethyl ester [ACD/Index Name]
tert-Butyl 3-(2-ethoxy-2-oxoethylidene)-8-azabicyclo[3.2.1]octane-8-carboxylate
3-?(2-?ethoxy-?2-?oxoethylidene)?-8-?Azabicyclo[3.2.1]?octane-?8-?carboxylic acid?, 1,?1-?dimethylethyl ester
MFCD24466863
tert-butyl 3-ethoxycarbonylmethylene-8-aza-bicyclo[3.2.1]octane-8-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: 385.8±35.0 °C at 760 mmHg
    Vapour Pressure: 0.0±0.9 mmHg at 25°C
    Enthalpy of Vaporization: 63.5±3.0 kJ/mol
    Flash Point: 187.1±25.9 °C
    Index of Refraction: 1.545
    Molar Refractivity: 80.6±0.3 cm3
    #H bond acceptors: 5
    #H bond donors: 0
    #Freely Rotating Bonds: 5
    #Rule of 5 Violations: 0
    ACD/LogP: 3.13
    ACD/LogD (pH 5.5): 3.19
    ACD/BCF (pH 5.5): 156.21
    ACD/KOC (pH 5.5): 1293.82
    ACD/LogD (pH 7.4): 3.19
    ACD/BCF (pH 7.4): 156.21
    ACD/KOC (pH 7.4): 1293.82
    Polar Surface Area: 56 Å2
    Polarizability: 32.0±0.5 10-24cm3
    Surface Tension: 46.4±3.0 dyne/cm
    Molar Volume: 254.9±3.0 cm3

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