ChemSpider 2D Image | 5-({4-[(4-Carboxy-4-methylpentyl)oxy]phenyl}sulfanyl)-2,2-dimethylpentanoic acid | C20H30O5S

5-({4-[(4-Carboxy-4-methylpentyl)oxy]phenyl}sulfanyl)-2,2-dimethylpentanoic acid

  • Molecular FormulaC20H30O5S
  • Average mass382.514 Da
  • Monoisotopic mass382.181396 Da
  • ChemSpider ID15131701

More details:

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

5-({4-[(4-Carboxy-4-methylpentyl)oxy]phenyl}sulfanyl)-2,2-dimethylpentanoic acid [ACD/IUPAC Name]
5-({4-[(4-Carboxy-4-methylpentyl)oxy]phenyl}sulfanyl)-2,2-dimethylpentansäure [German] [ACD/IUPAC Name]
Acide 5-({4-[(4-carboxy-4-méthylpentyl)oxy]phényl}sulfanyl)-2,2-diméthylpentanoïque [French] [ACD/IUPAC Name]
Pentanoic acid, 5-[[4-[(4-carboxy-4-methylpentyl)oxy]phenyl]thio]-2,2-dimethyl- [ACD/Index Name]
5-[4-(4-Carboxy-4-methyl-pentylsulfanyl)-phenoxy]-2,2-dimethyl-pentanoic acid

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

Density: 1.2±0.1 g/cm3
Boiling Point: 572.0±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.7 mmHg at 25°C
Enthalpy of Vaporization: 90.2±3.0 kJ/mol
Flash Point: 299.7±28.7 °C
Index of Refraction: 1.550
Molar Refractivity: 104.6±0.4 cm3
#H bond acceptors: 5
#H bond donors: 2
#Freely Rotating Bonds: 12
#Rule of 5 Violations: 1
ACD/LogP: 5.33
ACD/LogD (pH 5.5): 3.21
ACD/BCF (pH 5.5): 66.07
ACD/KOC (pH 5.5): 240.82
ACD/LogD (pH 7.4): 0.21
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 109 Å2
Polarizability: 41.5±0.5 10-24cm3
Surface Tension: 49.9±5.0 dyne/cm
Molar Volume: 328.3±5.0 cm3

Click to predict properties on the Chemicalize site


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