ChemSpider 2D Image | (1s,3s)-3-(2-(tert-butoxy)-2-oxoethyl)cyclobutanecarboxylic acid | C11H18O4

(1s,3s)-3-(2-(tert-butoxy)-2-oxoethyl)cyclobutanecarboxylic acid

  • Molecular FormulaC11H18O4
  • Average mass214.258 Da
  • Monoisotopic mass214.120514 Da
  • ChemSpider ID38236316

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

(1s,3s)-3-(2-(tert-butoxy)-2-oxoethyl)cyclobutanecarboxylic acid
847416-52-8 [RN]
Acide cis-3-{2-[(2-méthyl-2-propanyl)oxy]-2-oxoéthyl}cyclobutanecarboxylique [French] [ACD/IUPAC Name]
cis-3-{2-[(2-Methyl-2-propanyl)oxy]-2-oxoethyl}cyclobutancarbonsäure [German] [ACD/IUPAC Name]
cis-3-{2-[(2-Methyl-2-propanyl)oxy]-2-oxoethyl}cyclobutanecarboxylic acid [ACD/IUPAC Name]
Cyclobutaneacetic acid, 3-carboxy-, α-(1,1-dimethylethyl) ester, cis- [ACD/Index Name]
(1s,3s)-3-[2-(tert-butoxy)-2-oxoethyl]cyclobutane-1-carboxylic acid
(1s,3s)-3-[2-(tert-butoxy)-2-oxoethyl]cyclobutane-1-carboxylic acid, cis
[847416-52-8] [RN]
1506431-11-3 [RN]
More...

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

    Density: 1.1±0.1 g/cm3
    Boiling Point: 313.6±15.0 °C at 760 mmHg
    Vapour Pressure: 0.0±1.4 mmHg at 25°C
    Enthalpy of Vaporization: 61.0±6.0 kJ/mol
    Flash Point: 115.1±13.9 °C
    Index of Refraction: 1.481
    Molar Refractivity: 54.2±0.3 cm3
    #H bond acceptors: 4
    #H bond donors: 1
    #Freely Rotating Bonds: 5
    #Rule of 5 Violations: 0
    ACD/LogP: 1.60
    ACD/LogD (pH 5.5): 1.14
    ACD/BCF (pH 5.5): 2.66
    ACD/KOC (pH 5.5): 39.00
    ACD/LogD (pH 7.4): -0.66
    ACD/BCF (pH 7.4): 1.00
    ACD/KOC (pH 7.4): 1.00
    Polar Surface Area: 64 Å2
    Polarizability: 21.5±0.5 10-24cm3
    Surface Tension: 40.7±3.0 dyne/cm
    Molar Volume: 190.4±3.0 cm3

    Click to predict properties on the Chemicalize site


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