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Search term: 28283719 (Found by CSID)
ChemSpider 2D Image | 3-Ethyl-4-hydroxy-6-isobutyl-2H-pyran-2-one | C11H16O3

3-Ethyl-4-hydroxy-6-isobutyl-2H-pyran-2-one

  • Molecular FormulaC11H16O3
  • Average mass196.243 Da
  • Monoisotopic mass196.109940 Da
  • ChemSpider ID28283719

More details:

Featured data source
Natural Product Updates

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

2H-Pyran-2-one, 3-ethyl-4-hydroxy-6-(2-methylpropyl)- [ACD/Index Name]
3-Ethyl-4-hydroxy-6-isobutyl-2H-pyran-2-on [German] [ACD/IUPAC Name]
3-Ethyl-4-hydroxy-6-isobutyl-2H-pyran-2-one [ACD/IUPAC Name]
3-Éthyl-4-hydroxy-6-isobutyl-2H-pyran-2-one [French] [ACD/IUPAC Name]
3-Ethyl-4-hydroxy-6-(2-methylpropyl)-2H-pyran-2-one
919288-74-7 [RN]
isogermicidin A

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

Density: 1.1±0.1 g/cm3
Boiling Point: 299.9±40.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.4 mmHg at 25°C
Enthalpy of Vaporization: 62.6±6.0 kJ/mol
Flash Point: 122.8±20.1 °C
Index of Refraction: 1.506
Molar Refractivity: 53.5±0.3 cm3
#H bond acceptors: 3
#H bond donors: 1
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 2.68
ACD/LogD (pH 5.5): 1.59
ACD/BCF (pH 5.5): 7.92
ACD/KOC (pH 5.5): 122.33
ACD/LogD (pH 7.4): -0.04
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 2.88
Polar Surface Area: 47 Å2
Polarizability: 21.2±0.5 10-24cm3
Surface Tension: 37.5±3.0 dyne/cm
Molar Volume: 180.1±3.0 cm3

Click to predict properties on the Chemicalize site


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