ChemSpider 2D Image | Isolevoglucosenone | C6H6O3

Isolevoglucosenone

  • Molecular FormulaC6H6O3
  • Average mass126.110 Da
  • Monoisotopic mass126.031693 Da
  • ChemSpider ID57578818

  • defined stereocentres - 1 of 2 defined stereocentres

More details:

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

(5R)-6,8-Dioxabicyclo[3.2.1]oct-3-en-2-on [German] [ACD/IUPAC Name]
(5R)-6,8-Dioxabicyclo[3.2.1]oct-3-en-2-one [ACD/IUPAC Name]
(5R)-6,8-Dioxabicyclo[3.2.1]oct-3-én-2-one [French] [ACD/IUPAC Name]
6,8-Dioxabicyclo[3.2.1]oct-3-en-2-one, (5R)- [ACD/Index Name]
Isolevoglucosenone
(1R,5R)-6,8-Dioxabicyclo[3.2.1]oct-3-en-2-one [ACD/IUPAC Name]
33647-85-7 [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: 254.4±40.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.5 mmHg at 25°C
Enthalpy of Vaporization: 49.2±3.0 kJ/mol
Flash Point: 98.2±13.8 °C
Index of Refraction: 1.517
Molar Refractivity: 28.7±0.3 cm3
#H bond acceptors: 3
#H bond donors: 0
#Freely Rotating Bonds: 0
#Rule of 5 Violations: 0
ACD/LogP: -0.41
ACD/LogD (pH 5.5): -0.35
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 15.42
ACD/LogD (pH 7.4): -0.35
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 15.42
Polar Surface Area: 36 Å2
Polarizability: 11.4±0.5 10-24cm3
Surface Tension: 41.4±3.0 dyne/cm
Molar Volume: 94.8±3.0 cm3

Click to predict properties on the Chemicalize site


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