ChemSpider 2D Image | tert-Butyl (R)-2-hydroxy-3-methylbutyrate | C9H18O3

tert-Butyl (R)-2-hydroxy-3-methylbutyrate

  • Molecular FormulaC9H18O3
  • Average mass174.237 Da
  • Monoisotopic mass174.125595 Da
  • ChemSpider ID18508096

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

(2R)-2-Hydroxy-3-méthylbutanoate de 2-méthyl-2-propanyle [French] [ACD/IUPAC Name]
1,1-Dimethylethyl (2R)-2-hydroxy-3-methylbutanoate
2-Methyl-2-propanyl (2R)-2-hydroxy-3-methylbutanoate [ACD/IUPAC Name]
2-Methyl-2-propanyl-(2R)-2-hydroxy-3-methylbutanoat [German] [ACD/IUPAC Name]
4216-96-0 [RN]
Butanoic acid, 2-hydroxy-3-methyl-, 1,1-dimethylethyl ester, (2R)- [ACD/Index Name]
tert-Butyl (2R)-2-hydroxy-3-methylbutanoate
tert-Butyl (R)-2-hydroxy-3-methylbutyrate
tert-Butyl-(2R)-2-hydroxy-3-methylbutanoat
(R)-tert-butyl 2-hydroxy-3-methyl butanoate
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    Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

    Density: 1.0±0.1 g/cm3
    Boiling Point: 189.5±8.0 °C at 760 mmHg
    Vapour Pressure: 0.2±0.8 mmHg at 25°C
    Enthalpy of Vaporization: 49.5±6.0 kJ/mol
    Flash Point: 63.0±6.9 °C
    Index of Refraction: 1.438
    Molar Refractivity: 46.9±0.3 cm3
    #H bond acceptors: 3
    #H bond donors: 1
    #Freely Rotating Bonds: 4
    #Rule of 5 Violations: 0
    ACD/LogP: 1.39
    ACD/LogD (pH 5.5): 1.71
    ACD/BCF (pH 5.5): 11.81
    ACD/KOC (pH 5.5): 203.71
    ACD/LogD (pH 7.4): 1.71
    ACD/BCF (pH 7.4): 11.81
    ACD/KOC (pH 7.4): 203.71
    Polar Surface Area: 47 Å2
    Polarizability: 18.6±0.5 10-24cm3
    Surface Tension: 30.8±3.0 dyne/cm
    Molar Volume: 178.9±3.0 cm3

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