ChemSpider 2D Image | (1R,5S)-6-Oxabicyclo[3.1.0]hexan-3-one | C5H6O2

(1R,5S)-6-Oxabicyclo[3.1.0]hexan-3-one

  • Molecular FormulaC5H6O2
  • Average mass98.100 Da
  • Monoisotopic mass98.036781 Da
  • ChemSpider ID61462540

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

(1R,5S)-6-Oxabicyclo[3.1.0]hexan-3-on [German] [ACD/IUPAC Name]
(1R,5S)-6-Oxabicyclo[3.1.0]hexan-3-one [ACD/IUPAC Name]
(1R,5S)-6-Oxabicyclo[3.1.0]hexan-3-one [French] [ACD/IUPAC Name]
6-Oxabicyclo[3.1.0]hexan-3-one, (1R,5S)- [ACD/Index Name]
74017-10-0 [RN]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 178.3±15.0 °C at 760 mmHg
Vapour Pressure: 1.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 41.5±3.0 kJ/mol
Flash Point: 76.9±13.9 °C
Index of Refraction: 1.521
Molar Refractivity: 22.8±0.3 cm3
#H bond acceptors: 2
#H bond donors: 0
#Freely Rotating Bonds: 0
#Rule of 5 Violations: 0
ACD/LogP: -0.59
ACD/LogD (pH 5.5): -0.30
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 16.38
ACD/LogD (pH 7.4): -0.30
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 16.38
Polar Surface Area: 30 Å2
Polarizability: 9.1±0.5 10-24cm3
Surface Tension: 43.4±3.0 dyne/cm
Molar Volume: 75.0±3.0 cm3

Click to predict properties on the Chemicalize site


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