ChemSpider 2D Image | (6S)-6-[(1E,3S,6R)-6-(5,5-Dimethyl-4-oxo-4,5-dihydro-2-furanyl)-3-hydroxy-2-methyl-1-hepten-1-yl]-4-methyl-5,6-dihydro-2H-pyran-2-one | C20H28O5

(6S)-6-[(1E,3S,6R)-6-(5,5-Dimethyl-4-oxo-4,5-dihydro-2-furanyl)-3-hydroxy-2-methyl-1-hepten-1-yl]-4-methyl-5,6-dihydro-2H-pyran-2-one

  • Molecular FormulaC20H28O5
  • Average mass348.433 Da
  • Monoisotopic mass348.193665 Da
  • ChemSpider ID30831768

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 3 of 3 defined stereocentres

More details:

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

(6S)-6-[(1E,3S,6R)-6-(5,5-Dimethyl-4-oxo-4,5-dihydro-2-furanyl)-3-hydroxy-2-methyl-1-hepten-1-yl]-4-methyl-5,6-dihydro-2H-pyran-2-on [German] [ACD/IUPAC Name]
(6S)-6-[(1E,3S,6R)-6-(5,5-Dimethyl-4-oxo-4,5-dihydro-2-furanyl)-3-hydroxy-2-methyl-1-hepten-1-yl]-4-methyl-5,6-dihydro-2H-pyran-2-one [ACD/IUPAC Name]
(6S)-6-[(1E,3S,6R)-6-(5,5-Diméthyl-4-oxo-4,5-dihydro-2-furanyl)-3-hydroxy-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,3S,6R)-6-(4,5-dihydro-5,5-dimethyl-4-oxo-2-furanyl)-3-hydroxy-2-methyl-1-hepten-1-yl]-5,6-dihydro-4-methyl-, (6S)- [ACD/Index Name]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 543.1±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.3 mmHg at 25°C
Enthalpy of Vaporization: 94.4±6.0 kJ/mol
Flash Point: 189.3±23.6 °C
Index of Refraction: 1.552
Molar Refractivity: 96.4±0.3 cm3
#H bond acceptors: 5
#H bond donors: 1
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 2.23
ACD/LogD (pH 5.5): 2.72
ACD/BCF (pH 5.5): 69.17
ACD/KOC (pH 5.5): 722.11
ACD/LogD (pH 7.4): 2.72
ACD/BCF (pH 7.4): 69.17
ACD/KOC (pH 7.4): 722.11
Polar Surface Area: 73 Å2
Polarizability: 38.2±0.5 10-24cm3
Surface Tension: 45.3±3.0 dyne/cm
Molar Volume: 301.4±3.0 cm3

Click to predict properties on the Chemicalize site


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