ChemSpider 2D Image | (1R,5S)-6,8-Dioxabicyclo[3.2.1]octan-4-one | C6H8O3

(1R,5S)-6,8-Dioxabicyclo[3.2.1]octan-4-one

  • Molecular FormulaC6H8O3
  • Average mass128.126 Da
  • Monoisotopic mass128.047348 Da
  • ChemSpider ID35033201

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

(1R,5S)-6,8-Dioxabicyclo[3.2.1]octan-4-on [German] [ACD/IUPAC Name]
(1R,5S)-6,8-Dioxabicyclo[3.2.1]octan-4-one [ACD/IUPAC Name]
(1R,5S)-6,8-Dioxabicyclo[3.2.1]octan-4-one [French] [ACD/IUPAC Name]
3538591 [Beilstein]
6,8-Dioxabicyclo[3.2.1]octan-4-one, (1R,5S)- [ACD/Index Name]
T56 A AO CO HVTJ &&(1R,5S)- Form [WLN]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 231.6±30.0 °C at 760 mmHg
Vapour Pressure: 0.1±0.5 mmHg at 25°C
Enthalpy of Vaporization: 46.8±3.0 kJ/mol
Flash Point: 84.3±11.0 °C
Index of Refraction: 1.484
Molar Refractivity: 29.1±0.3 cm3
#H bond acceptors: 3
#H bond donors: 0
#Freely Rotating Bonds: 0
#Rule of 5 Violations: 0
ACD/LogP: -0.71
ACD/LogD (pH 5.5): -0.51
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 12.63
ACD/LogD (pH 7.4): -0.51
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 12.63
Polar Surface Area: 36 Å2
Polarizability: 11.5±0.5 10-24cm3
Surface Tension: 38.5±3.0 dyne/cm
Molar Volume: 101.5±3.0 cm3

Click to predict properties on the Chemicalize site


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