ChemSpider 2D Image | 4-{[(2R)-2-Ethylhexyl]oxy}-8-{[(2S)-2-ethylhexyl]oxy}thieno[2,3-f][1]benzothiophene | C26H38O2S2

4-{[(2R)-2-Ethylhexyl]oxy}-8-{[(2S)-2-ethylhexyl]oxy}thieno[2,3-f][1]benzothiophene

  • Molecular FormulaC26H38O2S2
  • Average mass446.709 Da
  • Monoisotopic mass446.231323 Da
  • ChemSpider ID32792881
  • defined stereocentres - 2 of 2 defined stereocentres


More details:






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

4-{[(2R)-2-Ethylhexyl]oxy}-8-{[(2S)-2-ethylhexyl]oxy}thieno[2,3-f][1]benzothiophen [German] [ACD/IUPAC Name]
4-{[(2R)-2-Ethylhexyl]oxy}-8-{[(2S)-2-ethylhexyl]oxy}thieno[2,3-f][1]benzothiophene [ACD/IUPAC Name]
4-{[(2R)-2-Éthylhexyl]oxy}-8-{[(2S)-2-éthylhexyl]oxy}thiéno[2,3-f][1]benzothiophène [French] [ACD/IUPAC Name]
Benzo[1,2-b:4,5-b']dithiophene, 4-[[(2R)-2-ethylhexyl]oxy]-8-[[(2S)-2-ethylhexyl]oxy]- [ACD/Index Name]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.1±0.1 g/cm3
Boiling Point: 557.5±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.5 mmHg at 25°C
Enthalpy of Vaporization: 80.8±3.0 kJ/mol
Flash Point: 290.9±28.7 °C
Index of Refraction: 1.571
Molar Refractivity: 136.8±0.3 cm3
#H bond acceptors: 2
#H bond donors: 0
#Freely Rotating Bonds: 14
#Rule of 5 Violations: 1
ACD/LogP: 13.44
ACD/LogD (pH 5.5): 10.28
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 9314358.00
ACD/LogD (pH 7.4): 10.28
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 9314358.00
Polar Surface Area: 75 Å2
Polarizability: 54.2±0.5 10-24cm3
Surface Tension: 39.8±3.0 dyne/cm
Molar Volume: 416.5±3.0 cm3

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