ChemSpider 2D Image | 2,2'-(3,4-Dibutoxy-2,5-thienediyl)bis{5-[4-(2-methyl-2-propanyl)phenyl]-1,3,4-oxadiazole} | C36H44N4O4S

2,2'-(3,4-Dibutoxy-2,5-thienediyl)bis{5-[4-(2-methyl-2-propanyl)phenyl]-1,3,4-oxadiazole}

  • Molecular FormulaC36H44N4O4S
  • Average mass628.824 Da
  • Monoisotopic mass628.308350 Da
  • ChemSpider ID24740997

More details:

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

1,3,4-Oxadiazole, 2,2'-(3,4-dibutoxy-2,5-thienediyl)bis[5-[4-(1,1-dimethylethyl)phenyl]- [ACD/Index Name]
2,2'-(3,4-Dibutoxy-2,5-thiendiyl)bis{5-[4-(2-methyl-2-propanyl)phenyl]-1,3,4-oxadiazol} [German] [ACD/IUPAC Name]
2,2'-(3,4-Dibutoxy-2,5-thienediyl)bis{5-[4-(2-methyl-2-propanyl)phenyl]-1,3,4-oxadiazole} [ACD/IUPAC Name]
2,2'-(3,4-Dibutoxy-2,5-thiènediyl)bis{5-[4-(2-méthyl-2-propanyl)phényl]-1,3,4-oxadiazole} [French] [ACD/IUPAC Name]

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

Density: 1.1±0.1 g/cm3
Boiling Point: 737.7±70.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.3 mmHg at 25°C
Enthalpy of Vaporization: 103.8±3.0 kJ/mol
Flash Point: 399.9±35.7 °C
Index of Refraction: 1.549
Molar Refractivity: 177.9±0.3 cm3
#H bond acceptors: 8
#H bond donors: 0
#Freely Rotating Bonds: 14
#Rule of 5 Violations: 2
ACD/LogP: 12.31
ACD/LogD (pH 5.5): 9.20
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 2397138.00
ACD/LogD (pH 7.4): 9.20
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 2397138.00
Polar Surface Area: 125 Å2
Polarizability: 70.5±0.5 10-24cm3
Surface Tension: 41.2±3.0 dyne/cm
Molar Volume: 559.0±3.0 cm3

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