ChemSpider 2D Image | Ethyl 3-cyclohexyl-3-[3-hydroxy-6-(hydroxymethyl)-4-oxo-4H-pyran-2-yl]propanoate | C17H24O6

Ethyl 3-cyclohexyl-3-[3-hydroxy-6-(hydroxymethyl)-4-oxo-4H-pyran-2-yl]propanoate

  • Molecular FormulaC17H24O6
  • Average mass324.369 Da
  • Monoisotopic mass324.157288 Da
  • ChemSpider ID29768430

More details:

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

3-Cyclohexyl-3-[3-hydroxy-6-(hydroxyméthyl)-4-oxo-4H-pyran-2-yl]propanoate d'éthyle [French] [ACD/IUPAC Name]
4H-Pyran-2-propanoic acid, β-cyclohexyl-3-hydroxy-6-(hydroxymethyl)-4-oxo-, ethyl ester [ACD/Index Name]
Ethyl 3-cyclohexyl-3-[3-hydroxy-6-(hydroxymethyl)-4-oxo-4H-pyran-2-yl]propanoate [ACD/IUPAC Name]
Ethyl-3-cyclohexyl-3-[3-hydroxy-6-(hydroxymethyl)-4-oxo-4H-pyran-2-yl]propanoat [German] [ACD/IUPAC Name]
1351679-92-9 [RN]
ethyl 3-cyclohexyl-3-[3-hydroxy-6-(hydroxymethyl)-4-oxopyran-2-yl]propanoate

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

    Density: 1.3±0.1 g/cm3
    Boiling Point: 525.8±50.0 °C at 760 mmHg
    Vapour Pressure: 0.0±3.1 mmHg at 25°C
    Enthalpy of Vaporization: 92.0±6.0 kJ/mol
    Flash Point: 189.5±23.6 °C
    Index of Refraction: 1.552
    Molar Refractivity: 82.4±0.3 cm3
    #H bond acceptors: 6
    #H bond donors: 2
    #Freely Rotating Bonds: 7
    #Rule of 5 Violations: 0
    ACD/LogP: 3.42
    ACD/LogD (pH 5.5): 2.35
    ACD/BCF (pH 5.5): 35.76
    ACD/KOC (pH 5.5): 450.14
    ACD/LogD (pH 7.4): 2.29
    ACD/BCF (pH 7.4): 31.43
    ACD/KOC (pH 7.4): 395.60
    Polar Surface Area: 93 Å2
    Polarizability: 32.7±0.5 10-24cm3
    Surface Tension: 53.5±3.0 dyne/cm
    Molar Volume: 257.7±3.0 cm3

    Click to predict properties on the Chemicalize site


    Advertisement