ChemSpider 2D Image | (6S)-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

(6S)-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 ID62872751

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 1 of 2 defined stereocentres

More details:

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

(6S)-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]
(6S)-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]
(6S)-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]
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-, (6S)- [ACD/Index Name]
(2S)-2-[(E)-6-(5,5-dimethyl-4-oxofuran-2-yl)-2-methylhept-1-enyl]-4-methyl-2,3-dihydropyran-6-one
942480-13-9 [RN]
MFCD20260839
Nemoralisin

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

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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