Found 6 results

Search term: MF = 'C_{37}H_{26}O_{2}'
ChemSpider 2D Image | (1S,5R)-1,3,5,6,7-Pentaphenyl-8-oxabicyclo[3.2.1]octa-3,6-dien-2-one | C37H26O2

(1S,5R)-1,3,5,6,7-Pentaphenyl-8-oxabicyclo[3.2.1]octa-3,6-dien-2-one

  • Molecular FormulaC37H26O2
  • Average mass502.601 Da
  • Monoisotopic mass502.193268 Da
  • ChemSpider ID9104461

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

(1S,5R)-1,3,5,6,7-Pentaphenyl-8-oxabicyclo[3.2.1]octa-3,6-dien-2-on [German] [ACD/IUPAC Name]
(1S,5R)-1,3,5,6,7-Pentaphenyl-8-oxabicyclo[3.2.1]octa-3,6-dien-2-one [ACD/IUPAC Name]
(1S,5R)-1,3,5,6,7-Pentaphényl-8-oxabicyclo[3.2.1]octa-3,6-dién-2-one [French] [ACD/IUPAC Name]
8-Oxabicyclo[3.2.1]octa-3,6-dien-2-one, 1,3,5,6,7-pentaphenyl-, (1S,5R)- [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: 623.3±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.8 mmHg at 25°C
Enthalpy of Vaporization: 92.3±3.0 kJ/mol
Flash Point: 232.1±25.1 °C
Index of Refraction: 1.689
Molar Refractivity: 153.3±0.3 cm3
#H bond acceptors: 2
#H bond donors: 0
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 2
ACD/LogP: 10.37
ACD/LogD (pH 5.5): 8.33
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 808500.00
ACD/LogD (pH 7.4): 8.33
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 808500.00
Polar Surface Area: 26 Å2
Polarizability: 60.8±0.5 10-24cm3
Surface Tension: 56.9±3.0 dyne/cm
Molar Volume: 401.5±3.0 cm3

Click to predict properties on the Chemicalize site


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