ChemSpider 2D Image | Germicidin A | C11H16O3

Germicidin A

  • Molecular FormulaC11H16O3
  • Average mass196.243 Da
  • Monoisotopic mass196.109940 Da
  • ChemSpider ID35467266

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

2H-Pyran-2-one, 3-ethyl-4-hydroxy-6-[(1S)-1-methylpropyl]- [ACD/Index Name]
6-[(2S)-2-Butanyl]-3-ethyl-4-hydroxy-2H-pyran-2-on [German] [ACD/IUPAC Name]
6-[(2S)-2-Butanyl]-3-ethyl-4-hydroxy-2H-pyran-2-one [ACD/IUPAC Name]
6-[(2S)-2-Butanyl]-3-éthyl-4-hydroxy-2H-pyran-2-one [French] [ACD/IUPAC Name]
Germicidin A
(S)-6-(sec-butyl)-3-ethyl-4-hydroxy-2H-pyran-2-one
150973-78-7 [RN]
151271-57-7 [RN]
6-[(2S)-BUTAN-2-YL]-3-ETHYL-4-HYDROXY-2H-PYRAN-2-ONE
6-[(2S)-BUTAN-2-YL]-3-ETHYL-4-HYDROXYPYRAN-2-ONE
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Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.1±0.1 g/cm3
Boiling Point: 299.5±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: 122.6±20.1 °C
Index of Refraction: 1.513
Molar Refractivity: 53.4±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): 1.60
ACD/BCF (pH 5.5): 8.12
ACD/KOC (pH 5.5): 125.42
ACD/LogD (pH 7.4): -0.02
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 3.01
Polar Surface Area: 47 Å2
Polarizability: 21.2±0.5 10-24cm3
Surface Tension: 39.5±3.0 dyne/cm
Molar Volume: 177.7±3.0 cm3

Click to predict properties on the Chemicalize site


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