ChemSpider 2D Image | (1R,5R)-6-Oxabicyclo[3.2.1]oct-3-en-7-one | C7H8O2

(1R,5R)-6-Oxabicyclo[3.2.1]oct-3-en-7-one

  • Molecular FormulaC7H8O2
  • Average mass124.137 Da
  • Monoisotopic mass124.052429 Da
  • ChemSpider ID30794693

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

(1R,5R)-6-Oxabicyclo[3.2.1]oct-3-en-7-on [German] [ACD/IUPAC Name]
(1R,5R)-6-Oxabicyclo[3.2.1]oct-3-en-7-one [ACD/IUPAC Name]
(1R,5R)-6-Oxabicyclo[3.2.1]oct-3-én-7-one [French] [ACD/IUPAC Name]
6-Oxabicyclo[3.2.1]oct-3-en-7-one, (1R,5R)- [ACD/Index Name]
109667-78-9 [RN]
4720-83-6 [RN]
6-Oxabicyclo[3.2.1]oct-3-en-7-one [ACD/Index Name] [ACD/IUPAC Name]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 263.1±29.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.5 mmHg at 25°C
Enthalpy of Vaporization: 50.1±3.0 kJ/mol
Flash Point: 104.0±21.7 °C
Index of Refraction: 1.522
Molar Refractivity: 31.7±0.3 cm3
#H bond acceptors: 2
#H bond donors: 0
#Freely Rotating Bonds: 0
#Rule of 5 Violations: 0
ACD/LogP: 0.06
ACD/LogD (pH 5.5): -0.07
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 21.92
ACD/LogD (pH 7.4): -0.07
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 21.92
Polar Surface Area: 26 Å2
Polarizability: 12.6±0.5 10-24cm3
Surface Tension: 39.6±3.0 dyne/cm
Molar Volume: 103.8±3.0 cm3

Click to predict properties on the Chemicalize site


Advertisement