ChemSpider 2D Image | 2-[4'-Heptyl-1,1'-bi(cyclohexyl)-4-yl]-5-pentyl-1,3,4-oxadiazole | C26H46N2O

2-[4'-Heptyl-1,1'-bi(cyclohexyl)-4-yl]-5-pentyl-1,3,4-oxadiazole

  • Molecular FormulaC26H46N2O
  • Average mass402.656 Da
  • Monoisotopic mass402.361023 Da
  • ChemSpider ID28691457

More details:

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

1,3,4-Oxadiazole, 2-(4'-heptyl[1,1'-bicyclohexyl]-4-yl)-5-pentyl- [ACD/Index Name]
2-[4'-Heptyl-1,1'-bi(cyclohexyl)-4-yl]-5-pentyl-1,3,4-oxadiazol [German] [ACD/IUPAC Name]
2-[4'-Heptyl-1,1'-bi(cyclohexyl)-4-yl]-5-pentyl-1,3,4-oxadiazole [ACD/IUPAC Name]
2-[4'-Heptyl-1,1'-bi(cyclohexyl)-4-yl]-5-pentyl-1,3,4-oxadiazole [French] [ACD/IUPAC Name]
2-[4'-Heptyl[1,1'-bi(cyclohexane)]-4-yl]-5-pentyl-1,3,4-oxadiazole
2-{4'-HEPTYL-[1,1'-BI(CYCLOHEXANE)]-4-YL}-5-PENTYL-1,3,4-OXADIAZOLE
88561-88-0 [RN]

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

Density: 1.0±0.1 g/cm3
Boiling Point: 511.1±33.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.3 mmHg at 25°C
Enthalpy of Vaporization: 75.2±3.0 kJ/mol
Flash Point: 232.5±19.4 °C
Index of Refraction: 1.491
Molar Refractivity: 122.3±0.3 cm3
#H bond acceptors: 3
#H bond donors: 0
#Freely Rotating Bonds: 12
#Rule of 5 Violations: 1
ACD/LogP: 10.19
ACD/LogD (pH 5.5): 9.46
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 3327069.25
ACD/LogD (pH 7.4): 9.46
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 3327069.25
Polar Surface Area: 39 Å2
Polarizability: 48.5±0.5 10-24cm3
Surface Tension: 36.9±3.0 dyne/cm
Molar Volume: 422.4±3.0 cm3

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