ChemSpider 2D Image | (5S,8R,10R)-5-Bromo-3,9,11-trioxatetracyclo[5.3.1.0~1,5~.0~8,10~]undecane | C8H9BrO3

(5S,8R,10R)-5-Bromo-3,9,11-trioxatetracyclo[5.3.1.01,5.08,10]undecane

  • Molecular FormulaC8H9BrO3
  • Average mass233.059 Da
  • Monoisotopic mass231.973495 Da
  • ChemSpider ID30655308

  • defined stereocentres - 3 of 5 defined stereocentres

More details:

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

(5S,8R,10R)-5-Brom-3,9,11-trioxatetracyclo[5.3.1.01,5.08,10]undecan [German] [ACD/IUPAC Name]
(5S,8R,10R)-5-Bromo-3,9,11-trioxatetracyclo[5.3.1.01,5.08,10]undecane [ACD/IUPAC Name]
(5S,8R,10R)-5-Bromo-3,9,11-trioxatétracyclo[5.3.1.01,5.08,10]undécane [French] [ACD/IUPAC Name]
6H-2,6a-Epoxyoxireno[e]isobenzofuran, 3a-bromohexahydro-, (1aR,3aS,6bR)- [ACD/Index Name]

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

Density: 1.9±0.1 g/cm3
Boiling Point: 319.4±42.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.7 mmHg at 25°C
Enthalpy of Vaporization: 53.9±3.0 kJ/mol
Flash Point: 129.1±26.4 °C
Index of Refraction: 1.644
Molar Refractivity: 43.8±0.4 cm3
#H bond acceptors: 3
#H bond donors: 0
#Freely Rotating Bonds: 0
#Rule of 5 Violations: 0
ACD/LogP: 1.19
ACD/LogD (pH 5.5): 1.15
ACD/BCF (pH 5.5): 4.39
ACD/KOC (pH 5.5): 100.36
ACD/LogD (pH 7.4): 1.15
ACD/BCF (pH 7.4): 4.39
ACD/KOC (pH 7.4): 100.36
Polar Surface Area: 31 Å2
Polarizability: 17.4±0.5 10-24cm3
Surface Tension: 57.2±5.0 dyne/cm
Molar Volume: 121.0±5.0 cm3

Click to predict properties on the Chemicalize site


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