ChemSpider 2D Image | tert-butyl 5,5-dioxo-4-oxa-5??-thia-6-azaspiro[2.4]heptane-6-carboxylate | C9H15NO5S

tert-butyl 5,5-dioxo-4-oxa-5??-thia-6-azaspiro[2.4]heptane-6-carboxylate

  • Molecular FormulaC9H15NO5S
  • Average mass249.284 Da
  • Monoisotopic mass249.067093 Da
  • ChemSpider ID64855414

More details:

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

2089649-97-6 [RN]
2-Methyl-2-propanyl 4-oxa-5-thia-6-azaspiro[2.4]heptane-6-carboxylate 5,5-dioxide [ACD/IUPAC Name]
2-Methyl-2-propanyl-4-oxa-5-thia-6-azaspiro[2.4]heptan-6-carboxylat-5,5-dioxid [German] [ACD/IUPAC Name]
4-Oxa-5-thia-6-azaspiro[2.4]heptane-6-carboxylic acid, 1,1-dimethylethyl ester, 5,5-dioxide [ACD/Index Name]
5,5-Dioxyde de -4-oxa-5-thia-6-azaspiro[2.4]heptane-6-carboxylate de 2-méthyl-2-propanyle [French] [ACD/IUPAC Name]
tert-butyl 5,5-dioxo-4-oxa-5??-thia-6-azaspiro[2.4]heptane-6-carboxylate
6-Boc-4-oxa-5-thia-6-azaspiro[2.4]heptane 5,5-Dioxide
MFCD30828741
TERT-BUTYL 4-OXA-5-THIA-6-AZASPIRO[2.4]HEPTANE-6-CARBOXYLATE 5,5-DIOXIDE
tert-butyl 5,5-dioxo-4-oxa-5λ⁶-thia-6-azaspiro[2.4]heptane-6-carboxylate

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

    Density: 1.4±0.1 g/cm3
    Boiling Point: 328.2±25.0 °C at 760 mmHg
    Vapour Pressure: 0.0±0.7 mmHg at 25°C
    Enthalpy of Vaporization: 57.1±3.0 kJ/mol
    Flash Point: 152.3±23.2 °C
    Index of Refraction: 1.545
    Molar Refractivity: 55.9±0.4 cm3
    #H bond acceptors: 6
    #H bond donors: 0
    #Freely Rotating Bonds: 2
    #Rule of 5 Violations: 0
    ACD/LogP: 0.11
    ACD/LogD (pH 5.5): 0.99
    ACD/BCF (pH 5.5): 3.32
    ACD/KOC (pH 5.5): 82.08
    ACD/LogD (pH 7.4): 0.99
    ACD/BCF (pH 7.4): 3.32
    ACD/KOC (pH 7.4): 82.08
    Polar Surface Area: 81 Å2
    Polarizability: 22.2±0.5 10-24cm3
    Surface Tension: 52.4±5.0 dyne/cm
    Molar Volume: 176.9±5.0 cm3

    Click to predict properties on the Chemicalize site


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