ChemSpider 2D Image | Methyl 3-(3-hydroxy-6-methyl-4-oxo-4H-pyran-2-yl)-3-{4-[(2-methyl-2-propen-1-yl)oxy]phenyl}propanoate | C20H22O6

Methyl 3-(3-hydroxy-6-methyl-4-oxo-4H-pyran-2-yl)-3-{4-[(2-methyl-2-propen-1-yl)oxy]phenyl}propanoate

  • Molecular FormulaC20H22O6
  • Average mass358.385 Da
  • Monoisotopic mass358.141632 Da
  • ChemSpider ID29771552

More details:

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

3-(3-Hydroxy-6-méthyl-4-oxo-4H-pyran-2-yl)-3-{4-[(2-méthyl-2-propén-1-yl)oxy]phényl}propanoate de méthyle [French] [ACD/IUPAC Name]
4H-Pyran-2-propanoic acid, 3-hydroxy-6-methyl-β-[4-[(2-methyl-2-propen-1-yl)oxy]phenyl]-4-oxo-, methyl ester [ACD/Index Name]
Methyl 3-(3-hydroxy-6-methyl-4-oxo-4H-pyran-2-yl)-3-{4-[(2-methyl-2-propen-1-yl)oxy]phenyl}propanoate [ACD/IUPAC Name]
Methyl-3-(3-hydroxy-6-methyl-4-oxo-4H-pyran-2-yl)-3-{4-[(2-methyl-2-propen-1-yl)oxy]phenyl}propanoat [German] [ACD/IUPAC Name]
1574484-39-1 [RN]
METHYL 3-(3-HYDROXY-6-METHYL-4-OXO-4H-PYRAN-2-YL)-3-{4-[(2-METHYLPROP-2-EN-1-YL)OXY]PHENYL}PROPANOATE
methyl 3-(3-hydroxy-6-methyl-4-oxopyran-2-yl)-3-[4-(2-methylprop-2-enoxy)phenyl]propanoate
METHYL 3-(3-HYDROXY-6-METHYL-4-OXOPYRAN-2-YL)-3-{4-[(2-METHYLPROP-2-EN-1-YL)OXY]PHENYL}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: 547.6±50.0 °C at 760 mmHg
    Vapour Pressure: 0.0±1.5 mmHg at 25°C
    Enthalpy of Vaporization: 87.0±3.0 kJ/mol
    Flash Point: 192.6±23.6 °C
    Index of Refraction: 1.566
    Molar Refractivity: 95.3±0.3 cm3
    #H bond acceptors: 6
    #H bond donors: 1
    #Freely Rotating Bonds: 8
    #Rule of 5 Violations: 0
    ACD/LogP: 3.92
    ACD/LogD (pH 5.5): 2.70
    ACD/BCF (pH 5.5): 66.85
    ACD/KOC (pH 5.5): 704.10
    ACD/LogD (pH 7.4): 2.61
    ACD/BCF (pH 7.4): 53.54
    ACD/KOC (pH 7.4): 563.87
    Polar Surface Area: 82 Å2
    Polarizability: 37.8±0.5 10-24cm3
    Surface Tension: 48.1±3.0 dyne/cm
    Molar Volume: 292.0±3.0 cm3

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