ChemSpider 2D Image | Ethyl 3-[3-hydroxy-6-(hydroxymethyl)-4-oxo-4H-pyran-2-yl]-3-(4-isopropylphenyl)propanoate | C20H24O6

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

  • Molecular FormulaC20H24O6
  • Average mass360.401 Da
  • Monoisotopic mass360.157288 Da
  • ChemSpider ID27329341

More details:

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

3-[3-Hydroxy-6-(hydroxyméthyl)-4-oxo-4H-pyran-2-yl]-3-(4-isopropylphényl)propanoate d'éthyle [French] [ACD/IUPAC Name]
4H-Pyran-2-propanoic acid, 3-hydroxy-6-(hydroxymethyl)-β-[4-(1-methylethyl)phenyl]-4-oxo-, ethyl ester [ACD/Index Name]
Ethyl 3-[3-hydroxy-6-(hydroxymethyl)-4-oxo-4H-pyran-2-yl]-3-(4-isopropylphenyl)propanoate [ACD/IUPAC Name]
Ethyl-3-[3-hydroxy-6-(hydroxymethyl)-4-oxo-4H-pyran-2-yl]-3-(4-isopropylphenyl)propanoat [German] [ACD/IUPAC Name]
1324071-58-0 [RN]
ethyl 3-(3-hydroxy-6-(hydroxymethyl)-4-oxo-4H-pyran-2-yl)-3-(4-isopropylphenyl)propanoate
ethyl 3-[3-hydroxy-6-(hydroxymethyl)-4-oxo-4H-pyran-2-yl]-3-[4-(propan-2-yl)phenyl]propanoate
ETHYL 3-[3-HYDROXY-6-(HYDROXYMETHYL)-4-OXOPYRAN-2-YL]-3-(4-ISOPROPYLPHENYL)PROPANOATE
ethyl 3-[3-hydroxy-6-(hydroxymethyl)-4-oxopyran-2-yl]-3-(4-propan-2-ylphenyl)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: 561.7±50.0 °C at 760 mmHg
    Vapour Pressure: 0.0±1.6 mmHg at 25°C
    Enthalpy of Vaporization: 88.9±3.0 kJ/mol
    Flash Point: 197.4±23.6 °C
    Index of Refraction: 1.575
    Molar Refractivity: 95.5±0.3 cm3
    #H bond acceptors: 6
    #H bond donors: 2
    #Freely Rotating Bonds: 8
    #Rule of 5 Violations: 0
    ACD/LogP: 4.14
    ACD/LogD (pH 5.5): 2.29
    ACD/BCF (pH 5.5): 32.43
    ACD/KOC (pH 5.5): 419.58
    ACD/LogD (pH 7.4): 2.20
    ACD/BCF (pH 7.4): 26.61
    ACD/KOC (pH 7.4): 344.28
    Polar Surface Area: 93 Å2
    Polarizability: 37.8±0.5 10-24cm3
    Surface Tension: 52.8±3.0 dyne/cm
    Molar Volume: 288.7±3.0 cm3

    Click to predict properties on the Chemicalize site


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