ChemSpider 2D Image | Bis(2-methyl-2-propanyl) (2S)-2-hydroxysuccinate | C12H22O5

Bis(2-methyl-2-propanyl) (2S)-2-hydroxysuccinate

  • Molecular FormulaC12H22O5
  • Average mass246.300 Da
  • Monoisotopic mass246.146729 Da
  • ChemSpider ID57386514

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

(2S)-2-Hydroxysuccinate de bis(2-méthyl-2-propanyle) [French] [ACD/IUPAC Name]
Bis(2-methyl-2-propanyl) (2S)-2-hydroxysuccinate [ACD/IUPAC Name]
Bis(2-methyl-2-propanyl)-(2S)malat [German] [ACD/IUPAC Name]
Butanedioic acid, 2-hydroxy-, bis(1,1-dimethylethyl) ester, (2S)- [ACD/Index Name]
(S)-Di-t-butyl 2-hydroxysuccinate
(S)-Di-tert-butyl 2-hydroxysuccinate
35126-91-1 [RN]
355126-91-9 [RN]
MFCD29920895

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

    Density: 1.1±0.1 g/cm3
    Boiling Point: 322.4±22.0 °C at 760 mmHg
    Vapour Pressure: 0.0±1.6 mmHg at 25°C
    Enthalpy of Vaporization: 65.4±6.0 kJ/mol
    Flash Point: 111.0±15.8 °C
    Index of Refraction: 1.453
    Molar Refractivity: 62.6±0.3 cm3
    #H bond acceptors: 5
    #H bond donors: 1
    #Freely Rotating Bonds: 7
    #Rule of 5 Violations: 0
    ACD/LogP: 1.63
    ACD/LogD (pH 5.5): 2.07
    ACD/BCF (pH 5.5): 22.00
    ACD/KOC (pH 5.5): 318.02
    ACD/LogD (pH 7.4): 2.07
    ACD/BCF (pH 7.4): 22.00
    ACD/KOC (pH 7.4): 318.02
    Polar Surface Area: 73 Å2
    Polarizability: 24.8±0.5 10-24cm3
    Surface Tension: 35.0±3.0 dyne/cm
    Molar Volume: 231.6±3.0 cm3

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