ChemSpider 2D Image | (1S,4S)-2,5-DIPHENYLBICYCLO[2,2,2]OCTA-2,5-DIENE | C20H18

(1S,4S)-2,5-DIPHENYLBICYCLO[2,2,2]OCTA-2,5-DIENE

  • Molecular FormulaC20H18
  • Average mass258.357 Da
  • Monoisotopic mass258.140839 Da
  • ChemSpider ID29738671

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

(1S,4S)-2,5-DIPHENYLBICYCLO[2,2,2]OCTA-2,5-DIENE
(1S,4S)-2,5-Diphenylbicyclo[2.2.2]octa-2,5-dien [German] [ACD/IUPAC Name]
(1S,4S)-2,5-Diphenylbicyclo[2.2.2]octa-2,5-diene [ACD/IUPAC Name]
(1S,4S)-2,5-Diphénylbicyclo[2.2.2]octa-2,5-diène [French] [ACD/IUPAC Name]
850409-83-5 [RN]
Bicyclo[2.2.2]octa-2,5-diene, 2,5-diphenyl-, (1S,4S)- [ACD/Index Name]
MFCD15143645 [MDL number]
(1S,4S)-2,5-Diphenylbicyclo[2.2.2]octadiene
(1S,4S)-2,5-Diphenylbicylco[2.2.2]octadiene (Hayashi ligand)
(1S,4S)-2,5-Diphenylbicylco-[2.2.2]octadiene (Hayashi ligand)
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Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.1±0.1 g/cm3
Boiling Point: 383.0±42.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.4 mmHg at 25°C
Enthalpy of Vaporization: 60.7±0.8 kJ/mol
Flash Point: 202.3±18.6 °C
Index of Refraction: 1.628
Molar Refractivity: 83.0±0.3 cm3
#H bond acceptors: 0
#H bond donors: 0
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 1
ACD/LogP: 5.46
ACD/LogD (pH 5.5): 5.24
ACD/BCF (pH 5.5): 5671.97
ACD/KOC (pH 5.5): 16924.46
ACD/LogD (pH 7.4): 5.24
ACD/BCF (pH 7.4): 5671.97
ACD/KOC (pH 7.4): 16924.46
Polar Surface Area: 0 Å2
Polarizability: 32.9±0.5 10-24cm3
Surface Tension: 44.1±3.0 dyne/cm
Molar Volume: 233.9±3.0 cm3

Click to predict properties on the Chemicalize site


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