ChemSpider 2D Image | 2-{[4-Hydroxy-3,5-bis(2-methyl-2-propanyl)phenyl]sulfanyl}-2-methyloctanoic acid | C23H38O3S

2-{[4-Hydroxy-3,5-bis(2-methyl-2-propanyl)phenyl]sulfanyl}-2-methyloctanoic acid

  • Molecular FormulaC23H38O3S
  • Average mass394.611 Da
  • Monoisotopic mass394.254150 Da
  • ChemSpider ID15492690

More details:






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

2-{[4-Hydroxy-3,5-bis(2-methyl-2-propanyl)phenyl]sulfanyl}-2-methyloctanoic acid [ACD/IUPAC Name]
2-{[4-Hydroxy-3,5-bis(2-methyl-2-propanyl)phenyl]sulfanyl}-2-methyloctansäure [German] [ACD/IUPAC Name]
Acide 2-{[4-hydroxy-3,5-bis(2-méthyl-2-propanyl)phényl]sulfanyl}-2-méthyloctanoïque [French] [ACD/IUPAC Name]
Octanoic acid, 2-[[3,5-bis(1,1-dimethylethyl)-4-hydroxyphenyl]thio]-2-methyl- [ACD/Index Name]

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

Density: 1.1±0.0 g/cm3
Boiling Point: 477.4±0.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.0 mmHg at 25°C
Enthalpy of Vaporization: 78.1±0.0 kJ/mol
Flash Point: 242.5±0.0 °C
Index of Refraction: 1.537
Molar Refractivity: 116.7±0.0 cm3
#H bond acceptors: 3
#H bond donors: 2
#Freely Rotating Bonds: 11
#Rule of 5 Violations: 1
ACD/LogP: 7.71
ACD/LogD (pH 5.5): 5.91
ACD/BCF (pH 5.5): 6728.62
ACD/KOC (pH 5.5): 5873.79
ACD/LogD (pH 7.4): 4.29
ACD/BCF (pH 7.4): 161.17
ACD/KOC (pH 7.4): 140.70
Polar Surface Area: 83 Å2
Polarizability: 46.3±0.0 10-24cm3
Surface Tension: 43.7±0.0 dyne/cm
Molar Volume: 373.3±0.0 cm3

Click to predict properties on the Chemicalize site






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