ChemSpider 2D Image | 6-[(1E)-6-(5,5-Dimethyl-4-oxo-4,5-dihydro-2-furanyl)-2-methyl-1-hepten-1-yl]-4-methyl-5,6-dihydro-2H-pyran-2-one | C20H28O4

6-[(1E)-6-(5,5-Dimethyl-4-oxo-4,5-dihydro-2-furanyl)-2-methyl-1-hepten-1-yl]-4-methyl-5,6-dihydro-2H-pyran-2-one

  • Molecular FormulaC20H28O4
  • Average mass332.434 Da
  • Monoisotopic mass332.198761 Da
  • ChemSpider ID28424556

  • Double-bond stereo - Double-bond stereo

More details:

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

2H-Pyran-2-one, 6-[(1E)-6-(4,5-dihydro-5,5-dimethyl-4-oxo-2-furanyl)-2-methyl-1-hepten-1-yl]-5,6-dihydro-4-methyl- [ACD/Index Name]
6-[(1E)-6-(5,5-Dimethyl-4-oxo-4,5-dihydro-2-furanyl)-2-methyl-1-hepten-1-yl]-4-methyl-5,6-dihydro-2H-pyran-2-on [German] [ACD/IUPAC Name]
6-[(1E)-6-(5,5-Dimethyl-4-oxo-4,5-dihydro-2-furanyl)-2-methyl-1-hepten-1-yl]-4-methyl-5,6-dihydro-2H-pyran-2-one [ACD/IUPAC Name]
6-[(1E)-6-(5,5-Diméthyl-4-oxo-4,5-dihydro-2-furanyl)-2-méthyl-1-heptén-1-yl]-4-méthyl-5,6-dihydro-2H-pyran-2-one [French] [ACD/IUPAC Name]
[942480-13-9] [RN]
942480-13-9 [RN]
MFCD20260839
Nemoralisin

    Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

    Density: 1.1±0.1 g/cm3
    Boiling Point: 494.6±45.0 °C at 760 mmHg
    Vapour Pressure: 0.0±1.3 mmHg at 25°C
    Enthalpy of Vaporization: 76.2±3.0 kJ/mol
    Flash Point: 215.8±28.8 °C
    Index of Refraction: 1.538
    Molar Refractivity: 94.9±0.3 cm3
    #H bond acceptors: 4
    #H bond donors: 0
    #Freely Rotating Bonds: 6
    #Rule of 5 Violations: 0
    ACD/LogP: 3.85
    ACD/LogD (pH 5.5): 3.96
    ACD/BCF (pH 5.5): 605.39
    ACD/KOC (pH 5.5): 3411.78
    ACD/LogD (pH 7.4): 3.96
    ACD/BCF (pH 7.4): 605.39
    ACD/KOC (pH 7.4): 3411.78
    Polar Surface Area: 53 Å2
    Polarizability: 37.6±0.5 10-24cm3
    Surface Tension: 40.8±3.0 dyne/cm
    Molar Volume: 303.5±3.0 cm3

    Click to predict properties on the Chemicalize site


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