ChemSpider 2D Image | Methyl 3-[3-hydroxy-6-(methoxymethyl)-4-oxo-4H-pyran-2-yl]-4-methylpentanoate | C14H20O6

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

  • Molecular FormulaC14H20O6
  • Average mass284.305 Da
  • Monoisotopic mass284.125977 Da
  • ChemSpider ID29772644

More details:

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

3-[3-Hydroxy-6-(méthoxyméthyl)-4-oxo-4H-pyran-2-yl]-4-méthylpentanoate de méthyle [French] [ACD/IUPAC Name]
4H-Pyran-2-propanoic acid, 3-hydroxy-6-(methoxymethyl)-β-(1-methylethyl)-4-oxo-, methyl ester [ACD/Index Name]
Methyl 3-[3-hydroxy-6-(methoxymethyl)-4-oxo-4H-pyran-2-yl]-4-methylpentanoate [ACD/IUPAC Name]
Methyl-3-[3-hydroxy-6-(methoxymethyl)-4-oxo-4H-pyran-2-yl]-4-methylpentanoat [German] [ACD/IUPAC Name]
1574467-27-8 [RN]
methyl 3-(3-hydroxy-6-(methoxymethyl)-4-oxo-4H-pyran-2-yl)-4-methylpentanoate
methyl 3-[3-hydroxy-6-(methoxymethyl)-4-oxopyran-2-yl]-4-methylpentanoate

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

    Density: 1.2±0.1 g/cm3
    Boiling Point: 419.1±45.0 °C at 760 mmHg
    Vapour Pressure: 0.0±2.2 mmHg at 25°C
    Enthalpy of Vaporization: 77.7±6.0 kJ/mol
    Flash Point: 151.6±22.2 °C
    Index of Refraction: 1.508
    Molar Refractivity: 70.8±0.3 cm3
    #H bond acceptors: 6
    #H bond donors: 1
    #Freely Rotating Bonds: 7
    #Rule of 5 Violations: 0
    ACD/LogP: 1.76
    ACD/LogD (pH 5.5): 1.59
    ACD/BCF (pH 5.5): 9.47
    ACD/KOC (pH 5.5): 173.83
    ACD/LogD (pH 7.4): 1.50
    ACD/BCF (pH 7.4): 7.81
    ACD/KOC (pH 7.4): 143.29
    Polar Surface Area: 82 Å2
    Polarizability: 28.1±0.5 10-24cm3
    Surface Tension: 43.4±3.0 dyne/cm
    Molar Volume: 237.5±3.0 cm3

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