ChemSpider 2D Image | (1S,4S)-1-Methoxybicyclo[2.2.2]oct-5-ene-2,2,3,3-tetracarbonitrile | C13H10N4O

(1S,4S)-1-Methoxybicyclo[2.2.2]oct-5-ene-2,2,3,3-tetracarbonitrile

  • Molecular FormulaC13H10N4O
  • Average mass238.245 Da
  • Monoisotopic mass238.085464 Da
  • ChemSpider ID21187413

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

(1S,4S)-1-Methoxybicyclo[2.2.2]oct-5-en-2,2,3,3-tetracarbonitril [German] [ACD/IUPAC Name]
(1S,4S)-1-Methoxybicyclo[2.2.2]oct-5-ene-2,2,3,3-tetracarbonitrile [ACD/IUPAC Name]
(1S,4S)-1-Méthoxybicyclo[2.2.2]oct-5-ène-2,2,3,3-tétracarbonitrile [French] [ACD/IUPAC Name]
Bicyclo[2.2.2]oct-5-ene-2,2,3,3-tetracarbonitrile, 1-methoxy-, (1S,4S)- [ACD/Index 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: 543.3±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.5 mmHg at 25°C
Enthalpy of Vaporization: 82.2±3.0 kJ/mol
Flash Point: 228.9±23.0 °C
Index of Refraction: 1.568
Molar Refractivity: 59.6±0.4 cm3
#H bond acceptors: 5
#H bond donors: 0
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 0.45
ACD/LogD (pH 5.5): 1.16
ACD/BCF (pH 5.5): 4.46
ACD/KOC (pH 5.5): 101.49
ACD/LogD (pH 7.4): 1.16
ACD/BCF (pH 7.4): 4.46
ACD/KOC (pH 7.4): 101.49
Polar Surface Area: 104 Å2
Polarizability: 23.6±0.5 10-24cm3
Surface Tension: 68.4±5.0 dyne/cm
Molar Volume: 182.2±5.0 cm3

Click to predict properties on the Chemicalize site


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