ChemSpider 2D Image | Ethyl 4-(4-hydroxy-1,1-dioxidotetrahydro-3-thiophenyl)-3-oxo-1-piperazinecarboxylate | C11H18N2O6S

Ethyl 4-(4-hydroxy-1,1-dioxidotetrahydro-3-thiophenyl)-3-oxo-1-piperazinecarboxylate

  • Molecular FormulaC11H18N2O6S
  • Average mass306.335 Da
  • Monoisotopic mass306.088562 Da
  • ChemSpider ID35513838

More details:

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

1-Piperazinecarboxylic acid, 3-oxo-4-(tetrahydro-4-hydroxy-1,1-dioxido-3-thienyl)-, ethyl ester [ACD/Index Name]
4-(4-Hydroxy-1,1-dioxydotétrahydro-3-thiophényl)-3-oxo-1-pipérazinecarboxylate d'éthyle [French] [ACD/IUPAC Name]
Ethyl 4-(4-hydroxy-1,1-dioxidotetrahydro-3-thiophenyl)-3-oxo-1-piperazinecarboxylate [ACD/IUPAC Name]
Ethyl-4-(4-hydroxy-1,1-dioxidotetrahydro-3-thiophenyl)-3-oxo-1-piperazincarboxylat [German] [ACD/IUPAC Name]
ethyl 4-(4-hydroxy-1,1-dioxidotetrahydro-3-thienyl)-3-oxopiperazine-1-carboxylate
ethyl 4-(4-hydroxy-1,1-dioxidotetrahydrothiophen-3-yl)-3-oxopiperazine-1-carboxylate
MFCD28398366

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

    Density: 1.5±0.1 g/cm3
    Boiling Point: 604.4±55.0 °C at 760 mmHg
    Vapour Pressure: 0.0±3.9 mmHg at 25°C
    Enthalpy of Vaporization: 103.1±6.0 kJ/mol
    Flash Point: 319.3±31.5 °C
    Index of Refraction: 1.587
    Molar Refractivity: 68.9±0.4 cm3
    #H bond acceptors: 8
    #H bond donors: 1
    #Freely Rotating Bonds: 3
    #Rule of 5 Violations: 0
    ACD/LogP: -1.88
    ACD/LogD (pH 5.5): -1.65
    ACD/BCF (pH 5.5): 1.00
    ACD/KOC (pH 5.5): 3.03
    ACD/LogD (pH 7.4): -1.65
    ACD/BCF (pH 7.4): 1.00
    ACD/KOC (pH 7.4): 3.03
    Polar Surface Area: 113 Å2
    Polarizability: 27.3±0.5 10-24cm3
    Surface Tension: 67.3±3.0 dyne/cm
    Molar Volume: 205.1±3.0 cm3

    Click to predict properties on the Chemicalize site


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