ChemSpider 2D Image | ethyl 1-{[(tert-butoxy)carbonyl]amino}-3-oxocyclobutane-1-carboxylate | C12H19NO5

ethyl 1-{[(tert-butoxy)carbonyl]amino}-3-oxocyclobutane-1-carboxylate

  • Molecular FormulaC12H19NO5
  • Average mass257.283 Da
  • Monoisotopic mass257.126312 Da
  • ChemSpider ID25069633

More details:

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

1-({[(2-Méthyl-2-propanyl)oxy]carbonyl}amino)-3-oxocyclobutanecarboxylate d'éthyle [French] [ACD/IUPAC Name]
129287-91-8 [RN]
Cyclobutanecarboxylic acid, 1-[[(1,1-dimethylethoxy)carbonyl]amino]-3-oxo-, ethyl ester [ACD/Index Name]
Ethyl 1-({[(2-methyl-2-propanyl)oxy]carbonyl}amino)-3-oxocyclobutanecarboxylate [ACD/IUPAC Name]
ethyl 1-{[(tert-butoxy)carbonyl]amino}-3-oxocyclobutane-1-carboxylate
Ethyl-1-({[(2-methyl-2-propanyl)oxy]carbonyl}amino)-3-oxocyclobutancarboxylat [German] [ACD/IUPAC Name]
Chemistry 8992
Ethyl 1-((tert-butoxycarbonyl)amino)-3-oxocyclobutanecarboxylate
ETHYL 1-([(TERT-BUTOXY)CARBONYL]AMINO)-3-OXOCYCLOBUTANE-1-CARBOXYLATE
Ethyl 1-(tert-butoxycarbonylamino)-3-oxo-cyclobutanecarboxylate
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    Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

    Density: 1.2±0.1 g/cm3
    Boiling Point: 369.1±42.0 °C at 760 mmHg
    Vapour Pressure: 0.0±0.8 mmHg at 25°C
    Enthalpy of Vaporization: 61.6±3.0 kJ/mol
    Flash Point: 177.0±27.9 °C
    Index of Refraction: 1.484
    Molar Refractivity: 63.1±0.4 cm3
    #H bond acceptors: 6
    #H bond donors: 1
    #Freely Rotating Bonds: 6
    #Rule of 5 Violations: 0
    ACD/LogP: 1.43
    ACD/LogD (pH 5.5): 1.35
    ACD/BCF (pH 5.5): 6.28
    ACD/KOC (pH 5.5): 129.68
    ACD/LogD (pH 7.4): 1.34
    ACD/BCF (pH 7.4): 6.08
    ACD/KOC (pH 7.4): 125.58
    Polar Surface Area: 82 Å2
    Polarizability: 25.0±0.5 10-24cm3
    Surface Tension: 41.2±5.0 dyne/cm
    Molar Volume: 220.3±5.0 cm3

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