Found 1 result

Search term: caldariellaquinol (Found by synonym)

ChemSpider 2D Image | 6-(3,7,11,15,19,23-Hexamethyltetracosyl)-5-(methylsulfanyl)-1-benzothiophene-4,7-diol | C39H68O2S2

6-(3,7,11,15,19,23-Hexamethyltetracosyl)-5-(methylsulfanyl)-1-benzothiophene-4,7-diol

  • Molecular FormulaC39H68O2S2
  • Average mass633.086 Da
  • Monoisotopic mass632.466064 Da
  • ChemSpider ID28639289

More details:






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

6-(3,7,11,15,19,23-Hexamethyltetracosyl)-5-(methylsulfanyl)-1-benzothiophen-4,7-diol [German] [ACD/IUPAC Name]
6-(3,7,11,15,19,23-Hexamethyltetracosyl)-5-(methylsulfanyl)-1-benzothiophene-4,7-diol [ACD/IUPAC Name]
6-(3,7,11,15,19,23-Hexaméthyltétracosyl)-5-(méthylsulfanyl)-1-benzothiophène-4,7-diol [French] [ACD/IUPAC Name]
Benzo[b]thiophene-4,7-diol, 6-(3,7,11,15,19,23-hexamethyltetracosyl)-5-(methylthio)- [ACD/Index Name]
caldariellaquinol

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

Density: 1.0±0.1 g/cm3
Boiling Point: 689.7±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.2 mmHg at 25°C
Enthalpy of Vaporization: 104.7±3.0 kJ/mol
Flash Point: 370.9±31.5 °C
Index of Refraction: 1.540
Molar Refractivity: 196.9±0.4 cm3
#H bond acceptors: 2
#H bond donors: 2
#Freely Rotating Bonds: 24
#Rule of 5 Violations: 2
ACD/LogP: 17.87
ACD/LogD (pH 5.5): 14.57
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 10000000.00
ACD/LogD (pH 7.4): 14.55
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 10000000.00
Polar Surface Area: 94 Å2
Polarizability: 78.1±0.5 10-24cm3
Surface Tension: 42.8±5.0 dyne/cm
Molar Volume: 627.3±5.0 cm3

Click to predict properties on the Chemicalize site






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