Found 43 results

Search term: MF = 'C_{17}H_{30}O_{3}S'
ChemSpider 2D Image | Ethyl 4-hydroxy-4-{[(3-methylcyclohexyl)sulfanyl]methyl}cyclohexanecarboxylate | C17H30O3S

Ethyl 4-hydroxy-4-{[(3-methylcyclohexyl)sulfanyl]methyl}cyclohexanecarboxylate

  • Molecular FormulaC17H30O3S
  • Average mass314.483 Da
  • Monoisotopic mass314.191559 Da
  • ChemSpider ID53097776

More details:

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

4-Hydroxy-4-{[(3-méthylcyclohexyl)sulfanyl]méthyl}cyclohexanecarboxylate d'éthyle [French] [ACD/IUPAC Name]
Cyclohexanecarboxylic acid, 4-hydroxy-4-[[(3-methylcyclohexyl)thio]methyl]-, ethyl ester [ACD/Index Name]
Ethyl 4-hydroxy-4-{[(3-methylcyclohexyl)sulfanyl]methyl}cyclohexanecarboxylate [ACD/IUPAC Name]
Ethyl-4-hydroxy-4-{[(3-methylcyclohexyl)sulfanyl]methyl}cyclohexancarboxylat [German] [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: 427.0±30.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.3 mmHg at 25°C
Enthalpy of Vaporization: 78.7±6.0 kJ/mol
Flash Point: 212.1±24.6 °C
Index of Refraction: 1.524
Molar Refractivity: 88.0±0.4 cm3
#H bond acceptors: 3
#H bond donors: 1
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 4.16
ACD/LogD (pH 5.5): 4.30
ACD/BCF (pH 5.5): 1094.11
ACD/KOC (pH 5.5): 5211.47
ACD/LogD (pH 7.4): 4.30
ACD/BCF (pH 7.4): 1094.11
ACD/KOC (pH 7.4): 5211.47
Polar Surface Area: 72 Å2
Polarizability: 34.9±0.5 10-24cm3
Surface Tension: 43.0±5.0 dyne/cm
Molar Volume: 287.9±5.0 cm3

Click to predict properties on the Chemicalize site


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