ChemSpider 2D Image | Methyl 3-{2-[(2-methyl-2-propanyl)oxy]-2-oxoethyl}bicyclo[1.1.1]pentane-1-carboxylate | C13H20O4

Methyl 3-{2-[(2-methyl-2-propanyl)oxy]-2-oxoethyl}bicyclo[1.1.1]pentane-1-carboxylate

  • Molecular FormulaC13H20O4
  • Average mass240.296 Da
  • Monoisotopic mass240.136154 Da
  • ChemSpider ID34065995

More details:

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

3-{2-[(2-Méthyl-2-propanyl)oxy]-2-oxoéthyl}bicyclo[1.1.1]pentane-1-carboxylate de méthyle [French] [ACD/IUPAC Name]
Bicyclo[1.1.1]pentane-1-acetic acid, 3-(methoxycarbonyl)-, 1,1-dimethylethyl ester [ACD/Index Name]
Methyl 3-{2-[(2-methyl-2-propanyl)oxy]-2-oxoethyl}bicyclo[1.1.1]pentane-1-carboxylate [ACD/IUPAC Name]
Methyl-3-{2-[(2-methyl-2-propanyl)oxy]-2-oxoethyl}bicyclo[1.1.1]pentan-1-carboxylat [German] [ACD/IUPAC Name]
1113001-73-2 [RN]
Bicyclo[1.1.1]pentane-1-acetic acid, 3-(methoxy-carbonyl)-, 1,1-dimethylethyl ester
Methyl 3-(2-(tert-butoxy)-2-oxoethyl)bicyclo[1.1.1]pentane-1-carboxylate
METHYL 3-[2-(TERT-BUTOXY)-2-OXOETHYL]BICYCLO[1.1.1]PENTANE-1-CARBOXYLATE
MFCD27987016

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

    Density: 1.2±0.1 g/cm3
    Boiling Point: 274.4±13.0 °C at 760 mmHg
    Vapour Pressure: 0.0±0.6 mmHg at 25°C
    Enthalpy of Vaporization: 51.3±3.0 kJ/mol
    Flash Point: 124.8±18.2 °C
    Index of Refraction: 1.514
    Molar Refractivity: 61.5±0.3 cm3
    #H bond acceptors: 4
    #H bond donors: 0
    #Freely Rotating Bonds: 6
    #Rule of 5 Violations: 0
    ACD/LogP: 2.06
    ACD/LogD (pH 5.5): 2.22
    ACD/BCF (pH 5.5): 28.86
    ACD/KOC (pH 5.5): 386.28
    ACD/LogD (pH 7.4): 2.22
    ACD/BCF (pH 7.4): 28.86
    ACD/KOC (pH 7.4): 386.28
    Polar Surface Area: 53 Å2
    Polarizability: 24.4±0.5 10-24cm3
    Surface Tension: 46.1±3.0 dyne/cm
    Molar Volume: 204.0±3.0 cm3

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