ChemSpider 2D Image | 5-(4'-Octyl-biphenyl-4-yl)-3-(4'-propyl-bicyclohexyl-4-yl)-[1,2,4]oxadiazole | C37H52N2O

5-(4'-Octyl-biphenyl-4-yl)-3-(4'-propyl-bicyclohexyl-4-yl)-[1,2,4]oxadiazole

  • Molecular FormulaC37H52N2O
  • Average mass540.822 Da
  • Monoisotopic mass540.407959 Da
  • ChemSpider ID2355504

More details:

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

1,2,4-Oxadiazole, 5-(4'-octyl[1,1'-biphenyl]-4-yl)-3-(4'-propyl[1,1'-bicyclohexyl]-4-yl)- [ACD/Index Name]
5-(4'-Octyl-4-biphenylyl)-3-[4'-propyl-1,1'-bi(cyclohexyl)-4-yl]-1,2,4-oxadiazol [German] [ACD/IUPAC Name]
5-(4'-Octyl-4-biphenylyl)-3-[4'-propyl-1,1'-bi(cyclohexyl)-4-yl]-1,2,4-oxadiazole [ACD/IUPAC Name]
5-(4'-Octyl-4-biphénylyl)-3-[4'-propyl-1,1'-bi(cyclohexyl)-4-yl]-1,2,4-oxadiazole [French] [ACD/IUPAC Name]
5-(4'-Octyl-biphenyl-4-yl)-3-(4'-propyl-bicyclohexyl-4-yl)-[1,2,4]oxadiazole

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

BAS 00333500 [DBID]

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

Density: 1.0±0.1 g/cm3
Boiling Point: 650.6±58.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.9 mmHg at 25°C
Enthalpy of Vaporization: 92.4±3.0 kJ/mol
Flash Point: 314.6±26.3 °C
Index of Refraction: 1.534
Molar Refractivity: 166.8±0.3 cm3
#H bond acceptors: 3
#H bond donors: 0
#Freely Rotating Bonds: 13
#Rule of 5 Violations: 2
ACD/LogP: 13.95
ACD/LogD (pH 5.5): 12.46
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 10000000.00
ACD/LogD (pH 7.4): 12.46
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 10000000.00
Polar Surface Area: 39 Å2
Polarizability: 66.1±0.5 10-24cm3
Surface Tension: 39.9±3.0 dyne/cm
Molar Volume: 536.5±3.0 cm3

Click to predict properties on the Chemicalize site


Advertisement