ChemSpider 2D Image | tert-butyl 2-oxo-1-oxa-3,9-diazaspiro[5.5]undecane-9-carboxylate | C13H22N2O4

tert-butyl 2-oxo-1-oxa-3,9-diazaspiro[5.5]undecane-9-carboxylate

  • Molecular FormulaC13H22N2O4
  • Average mass270.325 Da
  • Monoisotopic mass270.157959 Da
  • ChemSpider ID23347046

More details:

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

1209319-87-8 [RN]
tert-butyl 2-oxo-1-oxa-3,9-diazaspiro[5.5]undecane-9-carboxylate
1-Oxa-3,9-diazaspiro[5.5]undecane-9-carboxylic acid, 2-oxo-, 1,1-dimethylethyl ester [ACD/Index Name]
2-Oxo-1-oxa-3,9-diazaspiro[5.5]undecan-9-carboxylic acid tert-butyl ester
2-oxo-1-oxa-3,9-diaza-spiro[5.5]undecane-9-carboxylic acid tert-butyl ester
DS-3052
MFCD11109902 [MDL number]
tert-Butyl 2-oxo-1-oxa-3,9-diazaspiro-[5.5]undecane-9-carboxylate
TERT-BUTYL-2-OXO-1-OXA-3,9-DIAZA-SPIRO[5,5]UNDECANE-9-CARBOXYLATE
tert-butyl2-oxo-1-oxa-3,9-diazaspiro[5.5]undecane-9-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: 460.9±45.0 °C at 760 mmHg
    Vapour Pressure: 0.0±1.1 mmHg at 25°C
    Enthalpy of Vaporization: 72.2±3.0 kJ/mol
    Flash Point: 232.6±28.7 °C
    Index of Refraction: 1.523
    Molar Refractivity: 69.4±0.4 cm3
    #H bond acceptors: 6
    #H bond donors: 1
    #Freely Rotating Bonds: 2
    #Rule of 5 Violations: 0
    ACD/LogP: 1.41
    ACD/LogD (pH 5.5): 1.93
    ACD/BCF (pH 5.5): 17.24
    ACD/KOC (pH 5.5): 267.16
    ACD/LogD (pH 7.4): 1.93
    ACD/BCF (pH 7.4): 17.24
    ACD/KOC (pH 7.4): 267.15
    Polar Surface Area: 68 Å2
    Polarizability: 27.5±0.5 10-24cm3
    Surface Tension: 45.4±5.0 dyne/cm
    Molar Volume: 227.2±5.0 cm3

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