ChemSpider 2D Image | Ethyl 3-[3-(cyclopentyloxy)phenyl]-3-[3-hydroxy-6-(hydroxymethyl)-4-oxo-4H-pyran-2-yl]propanoate | C22H26O7

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

  • Molecular FormulaC22H26O7
  • Average mass402.438 Da
  • Monoisotopic mass402.167847 Da
  • ChemSpider ID31014178

More details:

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

3-[3-(Cyclopentyloxy)phényl]-3-[3-hydroxy-6-(hydroxyméthyl)-4-oxo-4H-pyran-2-yl]propanoate d'éthyle [French] [ACD/IUPAC Name]
4H-Pyran-2-propanoic acid, β-[3-(cyclopentyloxy)phenyl]-3-hydroxy-6-(hydroxymethyl)-4-oxo-, ethyl ester [ACD/Index Name]
Ethyl 3-[3-(cyclopentyloxy)phenyl]-3-[3-hydroxy-6-(hydroxymethyl)-4-oxo-4H-pyran-2-yl]propanoate [ACD/IUPAC Name]
Ethyl-3-[3-(cyclopentyloxy)phenyl]-3-[3-hydroxy-6-(hydroxymethyl)-4-oxo-4H-pyran-2-yl]propanoat [German] [ACD/IUPAC Name]
1324097-31-5 [RN]
ethyl 3-(3-(cyclopentyloxy)phenyl)-3-(3-hydroxy-6-(hydroxymethyl)-4-oxo-4H-pyran-2-yl)propanoate
ethyl 3-(3-cyclopentyloxyphenyl)-3-[3-hydroxy-6-(hydroxymethyl)-4-oxopyran-2-yl]propanoate
ETHYL 3-[3-(CYCLOPENTYLOXY)PHENYL]-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: 624.0±55.0 °C at 760 mmHg
    Vapour Pressure: 0.0±1.9 mmHg at 25°C
    Enthalpy of Vaporization: 97.1±3.0 kJ/mol
    Flash Point: 217.0±25.0 °C
    Index of Refraction: 1.594
    Molar Refractivity: 104.4±0.3 cm3
    #H bond acceptors: 7
    #H bond donors: 2
    #Freely Rotating Bonds: 9
    #Rule of 5 Violations: 0
    ACD/LogP: 4.22
    ACD/LogD (pH 5.5): 2.81
    ACD/BCF (pH 5.5): 80.34
    ACD/KOC (pH 5.5): 803.06
    ACD/LogD (pH 7.4): 2.71
    ACD/BCF (pH 7.4): 63.68
    ACD/KOC (pH 7.4): 636.56
    Polar Surface Area: 102 Å2
    Polarizability: 41.4±0.5 10-24cm3
    Surface Tension: 58.2±3.0 dyne/cm
    Molar Volume: 307.4±3.0 cm3

    Click to predict properties on the Chemicalize site


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