ChemSpider 2D Image | 3-(tert-Butoxycarbonyl)bicyclo[1.1.1]pentane-1-carboxylic acid | C11H16O4

3-(tert-Butoxycarbonyl)bicyclo[1.1.1]pentane-1-carboxylic acid

  • Molecular FormulaC11H16O4
  • Average mass212.242 Da
  • Monoisotopic mass212.104858 Da
  • ChemSpider ID35519577

More details:

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

1638765-30-6 [RN]
3-(tert-Butoxycarbonyl)bicyclo[1.1.1]pentane-1-carboxylic acid
3-{[(2-Methyl-2-propanyl)oxy]carbonyl}bicyclo[1.1.1]pentan-1-carbonsäure [German] [ACD/IUPAC Name]
3-{[(2-Methyl-2-propanyl)oxy]carbonyl}bicyclo[1.1.1]pentane-1-carboxylic acid [ACD/IUPAC Name]
Acide 3-{[(2-méthyl-2-propanyl)oxy]carbonyl}bicyclo[1.1.1]pentane-1-carboxylique [French] [ACD/IUPAC Name]
Bicyclo[1.1.1]pentane-1,3-dicarboxylic acid, 1-(1,1-dimethylethyl) ester
Bicyclo[1.1.1]pentane-1,3-dicarboxylic acid, mono(1,1-dimethylethyl) ester [ACD/Index Name]
3-[(TERT-BUTOXY)CARBONYL]BICYCLO[1.1.1]PENTANE-1-CARBOXYLIC ACID
3-[(tert-butoxy)carbonyl]bicyclo[1.1.1]pentane-1-carboxylicacid
MFCD27987015

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

    Density: 1.3±0.1 g/cm3
    Boiling Point: 302.0±42.0 °C at 760 mmHg
    Vapour Pressure: 0.0±1.4 mmHg at 25°C
    Enthalpy of Vaporization: 59.6±6.0 kJ/mol
    Flash Point: 112.6±21.4 °C
    Index of Refraction: 1.567
    Molar Refractivity: 51.8±0.3 cm3
    #H bond acceptors: 4
    #H bond donors: 1
    #Freely Rotating Bonds: 4
    #Rule of 5 Violations: 0
    ACD/LogP: 1.45
    ACD/LogD (pH 5.5): 0.52
    ACD/BCF (pH 5.5): 1.00
    ACD/KOC (pH 5.5): 15.39
    ACD/LogD (pH 7.4): -1.28
    ACD/BCF (pH 7.4): 1.00
    ACD/KOC (pH 7.4): 1.00
    Polar Surface Area: 64 Å2
    Polarizability: 20.5±0.5 10-24cm3
    Surface Tension: 63.6±3.0 dyne/cm
    Molar Volume: 158.7±3.0 cm3

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