ChemSpider 2D Image | (1S,4R)-2-Oxabicyclo[2.2.0]hex-5-en-3-one | C5H4O2

(1S,4R)-2-Oxabicyclo[2.2.0]hex-5-en-3-one

  • Molecular FormulaC5H4O2
  • Average mass96.084 Da
  • Monoisotopic mass96.021126 Da
  • ChemSpider ID74164302

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

(1S,4R)-2-Oxabicyclo[2.2.0]hex-5-en-3-on [German] [ACD/IUPAC Name]
(1S,4R)-2-Oxabicyclo[2.2.0]hex-5-en-3-one [ACD/IUPAC Name]
(1S,4R)-2-Oxabicyclo[2.2.0]hex-5-én-3-one [French] [ACD/IUPAC Name]
2-Oxabicyclo[2.2.0]hex-5-en-3-one, (1S,4R)- [ACD/Index Name]

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

Density: 1.4±0.1 g/cm3
Boiling Point: 191.4±40.0 °C at 760 mmHg
Vapour Pressure: 0.5±0.4 mmHg at 25°C
Enthalpy of Vaporization: 42.8±3.0 kJ/mol
Flash Point: 66.9±24.7 °C
Index of Refraction: 1.571
Molar Refractivity: 22.5±0.3 cm3
#H bond acceptors: 2
#H bond donors: 0
#Freely Rotating Bonds: 0
#Rule of 5 Violations: 0
ACD/LogP: -0.88
ACD/LogD (pH 5.5): -0.31
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 16.19
ACD/LogD (pH 7.4): -0.31
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 16.19
Polar Surface Area: 26 Å2
Polarizability: 8.9±0.5 10-24cm3
Surface Tension: 48.4±3.0 dyne/cm
Molar Volume: 68.3±3.0 cm3

Click to predict properties on the Chemicalize site


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