ChemSpider 2D Image | (1S,3S,7S)-5-Oxatricyclo[5.1.0.0~1,3~]octan-4-one | C7H8O2

(1S,3S,7S)-5-Oxatricyclo[5.1.0.01,3]octan-4-one

  • Molecular FormulaC7H8O2
  • Average mass124.137 Da
  • Monoisotopic mass124.052429 Da
  • ChemSpider ID21188379

  • defined stereocentres - 3 of 3 defined stereocentres

More details:

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

(1S,3S,7S)-5-Oxatricyclo[5.1.0.01,3]octan-4-on [German] [ACD/IUPAC Name]
(1S,3S,7S)-5-Oxatricyclo[5.1.0.01,3]octan-4-one [ACD/IUPAC Name]
(1S,3S,7S)-5-Oxatricyclo[5.1.0.01,3]octan-4-one [French] [ACD/IUPAC Name]
5-Oxatricyclo[5.1.0.01,3]octan-4-one, (1S,3S,7S)- [ACD/Index Name]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 265.1±8.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.5 mmHg at 25°C
Enthalpy of Vaporization: 50.3±3.0 kJ/mol
Flash Point: 105.0±15.9 °C
Index of Refraction: 1.561
Molar Refractivity: 30.1±0.4 cm3
#H bond acceptors: 2
#H bond donors: 0
#Freely Rotating Bonds: 0
#Rule of 5 Violations: 0
ACD/LogP: -0.53
ACD/LogD (pH 5.5): -0.43
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 13.92
ACD/LogD (pH 7.4): -0.43
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 13.92
Polar Surface Area: 26 Å2
Polarizability: 12.0±0.5 10-24cm3
Surface Tension: 43.7±5.0 dyne/cm
Molar Volume: 93.1±5.0 cm3

Click to predict properties on the Chemicalize site


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