ChemSpider 2D Image | burkholderic acid | C20H30O4

burkholderic acid

  • Molecular FormulaC20H30O4
  • Average mass334.450 Da
  • Monoisotopic mass334.214417 Da
  • ChemSpider ID28536046

  • Double-bond stereo - Double-bond stereo

More details:

Featured data source
Natural Product Updates

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

(2E)-1-(2-Hydroxy-5-propionyl-3-furyl)-2-methyl-2-dodecen-1-on [German] [ACD/IUPAC Name]
(2E)-1-(2-Hydroxy-5-propionyl-3-furyl)-2-methyl-2-dodecen-1-one [ACD/IUPAC Name]
(2E)-1-(2-Hydroxy-5-propionyl-3-furyl)-2-méthyl-2-dodécén-1-one [French] [ACD/IUPAC Name]
2-Dodecen-1-one, 1-[2-hydroxy-5-(1-oxopropyl)-3-furanyl]-2-methyl-, (2E)- [ACD/Index Name]
burkholderic acid

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

Density: 1.0±0.1 g/cm3
Boiling Point: 483.2±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.3 mmHg at 25°C
Enthalpy of Vaporization: 77.7±3.0 kJ/mol
Flash Point: 246.0±28.7 °C
Index of Refraction: 1.502
Molar Refractivity: 96.0±0.3 cm3
#H bond acceptors: 4
#H bond donors: 1
#Freely Rotating Bonds: 12
#Rule of 5 Violations: 1
ACD/LogP: 7.43
ACD/LogD (pH 5.5): 6.20
ACD/BCF (pH 5.5): 17707.20
ACD/KOC (pH 5.5): 20295.52
ACD/LogD (pH 7.4): 4.51
ACD/BCF (pH 7.4): 364.00
ACD/KOC (pH 7.4): 417.21
Polar Surface Area: 68 Å2
Polarizability: 38.1±0.5 10-24cm3
Surface Tension: 38.0±3.0 dyne/cm
Molar Volume: 325.2±3.0 cm3

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