ChemSpider 2D Image | (1R,5R,8S)-8-(Benzyloxy)-2,6-dioxabicyclo[3.2.1]octan-3-one | C13H14O4

(1R,5R,8S)-8-(Benzyloxy)-2,6-dioxabicyclo[3.2.1]octan-3-one

  • Molecular FormulaC13H14O4
  • Average mass234.248 Da
  • Monoisotopic mass234.089203 Da
  • ChemSpider ID24731050

  • defined stereocentres - 3 of 3 defined stereocentres

More details:

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

(1R,5R,8S)-8-(Benzyloxy)-2,6-dioxabicyclo[3.2.1]octan-3-on [German] [ACD/IUPAC Name]
(1R,5R,8S)-8-(Benzyloxy)-2,6-dioxabicyclo[3.2.1]octan-3-one [ACD/IUPAC Name]
(1R,5R,8S)-8-(Benzyloxy)-2,6-dioxabicyclo[3.2.1]octan-3-one [French] [ACD/IUPAC 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: 415.3±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.0 mmHg at 25°C
Enthalpy of Vaporization: 66.8±3.0 kJ/mol
Flash Point: 187.7±28.8 °C
Index of Refraction: 1.566
Molar Refractivity: 60.4±0.4 cm3
#H bond acceptors: 4
#H bond donors: 0
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 1.07
ACD/LogD (pH 5.5): 0.94
ACD/BCF (pH 5.5): 3.03
ACD/KOC (pH 5.5): 77.01
ACD/LogD (pH 7.4): 0.94
ACD/BCF (pH 7.4): 3.03
ACD/KOC (pH 7.4): 77.01
Polar Surface Area: 45 Å2
Polarizability: 23.9±0.5 10-24cm3
Surface Tension: 47.2±5.0 dyne/cm
Molar Volume: 185.2±5.0 cm3

Click to predict properties on the Chemicalize site


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