ChemSpider 2D Image | 2-Methyl-2-propanyl (2R)-3-[(methylsulfonyl)oxy]-2-phenylpropanoate | C14H20O5S

2-Methyl-2-propanyl (2R)-3-[(methylsulfonyl)oxy]-2-phenylpropanoate

  • Molecular FormulaC14H20O5S
  • Average mass300.371 Da
  • Monoisotopic mass300.103149 Da
  • ChemSpider ID58823283

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

(2R)-3-[(Méthylsulfonyl)oxy]-2-phénylpropanoate de 2-méthyl-2-propanyle [French] [ACD/IUPAC Name]
2-Methyl-2-propanyl (2R)-3-[(methylsulfonyl)oxy]-2-phenylpropanoate [ACD/IUPAC Name]
2-Methyl-2-propanyl-(2R)-3-[(methylsulfonyl)oxy]hydratropaat [German] [ACD/IUPAC Name]
Benzeneacetic acid, α-[[(methylsulfonyl)oxy]methyl]-, 1,1-dimethylethyl ester, (αR)- [ACD/Index Name]
(R)-tert-butyl 3-((methylsulfonyl)oxy)-2-phenylpropanoate
102089-75-8 [RN]
MFCD22571103
tert-butyl (r)-3-[(methylsulfonyl)oxy]-2-phenylpropanoate

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

    Density: 1.2±0.1 g/cm3
    Boiling Point: 436.8±38.0 °C at 760 mmHg
    Vapour Pressure: 0.0±1.0 mmHg at 25°C
    Enthalpy of Vaporization: 69.3±3.0 kJ/mol
    Flash Point: 217.9±26.8 °C
    Index of Refraction: 1.514
    Molar Refractivity: 76.2±0.4 cm3
    #H bond acceptors: 5
    #H bond donors: 0
    #Freely Rotating Bonds: 7
    #Rule of 5 Violations: 0
    ACD/LogP: 2.81
    ACD/LogD (pH 5.5): 2.75
    ACD/BCF (pH 5.5): 72.39
    ACD/KOC (pH 5.5): 746.04
    ACD/LogD (pH 7.4): 2.75
    ACD/BCF (pH 7.4): 72.39
    ACD/KOC (pH 7.4): 746.04
    Polar Surface Area: 78 Å2
    Polarizability: 30.2±0.5 10-24cm3
    Surface Tension: 42.0±3.0 dyne/cm
    Molar Volume: 253.0±3.0 cm3

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