ChemSpider 2D Image | tert-Butyl 3-cyano-1-oxa-8-azaspiro[4.5]decane-8-carboxylate | C14H22N2O3

tert-Butyl 3-cyano-1-oxa-8-azaspiro[4.5]decane-8-carboxylate

  • Molecular FormulaC14H22N2O3
  • Average mass266.336 Da
  • Monoisotopic mass266.163055 Da
  • ChemSpider ID25027291

More details:

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

1,1-Dimethylethyl 3-cyano-1-oxa-8-azaspiro[4.5]decane-8-carboxylate
1160246-93-4 [RN]
1-Oxa-8-azaspiro[4.5]decane-8-carboxylic acid, 3-cyano-, 1,1-dimethylethyl ester [ACD/Index Name]
2-Methyl-2-propanyl 3-cyano-1-oxa-8-azaspiro[4.5]decane-8-carboxylate [ACD/IUPAC Name]
2-Methyl-2-propanyl-3-cyan-1-oxa-8-azaspiro[4.5]decan-8-carboxylat [German] [ACD/IUPAC Name]
3-Cyano-1-oxa-8-azaspiro[4.5]décane-8-carboxylate de 2-méthyl-2-propanyle [French] [ACD/IUPAC Name]
tert-Butyl 3-cyano-1-oxa-8-azaspiro[4.5]decane-8-carboxylate
Chemistry 12085
MFCD12198531
t-Butyl 3-cyano-1-oxa-8-azaspiro[4.5]decane-8-carboxylate
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    Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

    Density: 1.1±0.1 g/cm3
    Boiling Point: 409.4±45.0 °C at 760 mmHg
    Vapour Pressure: 0.0±1.0 mmHg at 25°C
    Enthalpy of Vaporization: 66.2±3.0 kJ/mol
    Flash Point: 201.4±28.7 °C
    Index of Refraction: 1.514
    Molar Refractivity: 70.2±0.4 cm3
    #H bond acceptors: 5
    #H bond donors: 0
    #Freely Rotating Bonds: 3
    #Rule of 5 Violations: 0
    ACD/LogP: 0.67
    ACD/LogD (pH 5.5): 1.97
    ACD/BCF (pH 5.5): 18.47
    ACD/KOC (pH 5.5): 280.59
    ACD/LogD (pH 7.4): 1.97
    ACD/BCF (pH 7.4): 18.47
    ACD/KOC (pH 7.4): 280.59
    Polar Surface Area: 63 Å2
    Polarizability: 27.8±0.5 10-24cm3
    Surface Tension: 44.9±5.0 dyne/cm
    Molar Volume: 233.2±5.0 cm3

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