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

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

  • Molecular FormulaC17H24O6
  • Average mass324.369 Da
  • Monoisotopic mass324.157288 Da
  • ChemSpider ID29342793

More details:

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

3-Cyclohexyl-3-[3-hydroxy-6-(méthoxyméthyl)-4-oxo-4H-pyran-2-yl]propanoate de méthyle [French] [ACD/IUPAC Name]
4H-Pyran-2-propanoic acid, β-cyclohexyl-3-hydroxy-6-(methoxymethyl)-4-oxo-, methyl ester [ACD/Index Name]
Methyl 3-cyclohexyl-3-[3-hydroxy-6-(methoxymethyl)-4-oxo-4H-pyran-2-yl]propanoate [ACD/IUPAC Name]
Methyl-3-cyclohexyl-3-[3-hydroxy-6-(methoxymethyl)-4-oxo-4H-pyran-2-yl]propanoat [German] [ACD/IUPAC Name]
1574309-63-9 [RN]
methyl 3-cyclohexyl-3-[3-hydroxy-6-(methoxymethyl)-4-oxopyran-2-yl]propanoate

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

    Density: 1.2±0.1 g/cm3
    Boiling Point: 477.6±45.0 °C at 760 mmHg
    Vapour Pressure: 0.0±2.7 mmHg at 25°C
    Enthalpy of Vaporization: 85.5±6.0 kJ/mol
    Flash Point: 169.3±22.2 °C
    Index of Refraction: 1.532
    Molar Refractivity: 82.6±0.3 cm3
    #H bond acceptors: 6
    #H bond donors: 1
    #Freely Rotating Bonds: 7
    #Rule of 5 Violations: 0
    ACD/LogP: 2.94
    ACD/LogD (pH 5.5): 2.56
    ACD/BCF (pH 5.5): 51.52
    ACD/KOC (pH 5.5): 584.46
    ACD/LogD (pH 7.4): 2.47
    ACD/BCF (pH 7.4): 42.83
    ACD/KOC (pH 7.4): 485.90
    Polar Surface Area: 82 Å2
    Polarizability: 32.7±0.5 10-24cm3
    Surface Tension: 47.6±3.0 dyne/cm
    Molar Volume: 266.6±3.0 cm3

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