ChemSpider 2D Image | TERT-BUTYL 2-[3-(HYDROXYMETHYL)BICYCLO[1.1.1]PENTAN-1-YL]ACETATE | C12H20O3

TERT-BUTYL 2-[3-(HYDROXYMETHYL)BICYCLO[1.1.1]PENTAN-1-YL]ACETATE

  • Molecular FormulaC12H20O3
  • Average mass212.285 Da
  • Monoisotopic mass212.141251 Da
  • ChemSpider ID34065997

More details:

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

[3-(Hydroxyméthyl)bicyclo[1.1.1]pent-1-yl]acétate de 2-méthyl-2-propanyle [French] [ACD/IUPAC Name]
1113001-78-7 [RN]
2-Methyl-2-propanyl [3-(hydroxymethyl)bicyclo[1.1.1]pent-1-yl]acetate [ACD/IUPAC Name]
2-Methyl-2-propanyl-[3-(hydroxymethyl)bicyclo[1.1.1]pent-1-yl]acetat [German] [ACD/IUPAC Name]
Bicyclo[1.1.1]pentane-1-acetic acid, 3-(hydroxymethyl)-, 1,1-dimethylethyl ester [ACD/Index Name]
TERT-BUTYL 2-[3-(HYDROXYMETHYL)BICYCLO[1.1.1]PENTAN-1-YL]ACETATE
3-(Hydroxy-methyl)-bicyclo[1.1.1]pentane-1-acetic acid 1,1-dimethylethyl ester
Bicyclo[1.1.1]pentane-1-acetic acid, 3-(hydroxy-methyl)-, 1,1-dimethylethyl ester
Chemistry 11695
MFCD27987018
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    Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

    Density: 1.1±0.1 g/cm3
    Boiling Point: 272.7±13.0 °C at 760 mmHg
    Vapour Pressure: 0.0±1.2 mmHg at 25°C
    Enthalpy of Vaporization: 59.3±6.0 kJ/mol
    Flash Point: 104.3±12.6 °C
    Index of Refraction: 1.526
    Molar Refractivity: 56.7±0.3 cm3
    #H bond acceptors: 3
    #H bond donors: 1
    #Freely Rotating Bonds: 5
    #Rule of 5 Violations: 0
    ACD/LogP: 1.18
    ACD/LogD (pH 5.5): 1.45
    ACD/BCF (pH 5.5): 7.49
    ACD/KOC (pH 5.5): 147.15
    ACD/LogD (pH 7.4): 1.45
    ACD/BCF (pH 7.4): 7.49
    ACD/KOC (pH 7.4): 147.15
    Polar Surface Area: 47 Å2
    Polarizability: 22.5±0.5 10-24cm3
    Surface Tension: 53.1±3.0 dyne/cm
    Molar Volume: 185.0±3.0 cm3

    Click to predict properties on the Chemicalize site


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