ChemSpider 2D Image | (1S,2R,4R)-2-(2-Methoxyphenyl)-4-(2-methyl-2-propanyl)cyclohexyl 4-methylbenzenesulfonate | C24H32O4S

(1S,2R,4R)-2-(2-Methoxyphenyl)-4-(2-methyl-2-propanyl)cyclohexyl 4-methylbenzenesulfonate

  • Molecular FormulaC24H32O4S
  • Average mass416.573 Da
  • Monoisotopic mass416.202118 Da
  • ChemSpider ID62648135

  • defined stereocentres - 3 of 3 defined stereocentres

More details:

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

(1S,2R,4R)-2-(2-Methoxyphenyl)-4-(2-methyl-2-propanyl)cyclohexyl 4-methylbenzenesulfonate [ACD/IUPAC Name]
(1S,2R,4R)-2-(2-Methoxyphenyl)-4-(2-methyl-2-propanyl)cyclohexyl-4-methylbenzolsulfonat [German] [ACD/IUPAC Name]
4-Méthylbenzènesulfonate de (1S,2R,4R)-2-(2-méthoxyphényl)-4-(2-méthyl-2-propanyl)cyclohexyle [French] [ACD/IUPAC Name]
Cyclohexanol, 4-(1,1-dimethylethyl)-2-(2-methoxyphenyl)-, 4-methylbenzenesulfonate, (1S,2R,4R)- [ACD/Index Name]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 528.0±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.3 mmHg at 25°C
Enthalpy of Vaporization: 77.3±3.0 kJ/mol
Flash Point: 273.1±30.1 °C
Index of Refraction: 1.565
Molar Refractivity: 117.2±0.4 cm3
#H bond acceptors: 4
#H bond donors: 0
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 1
ACD/LogP: 6.50
ACD/LogD (pH 5.5): 6.48
ACD/BCF (pH 5.5): 49610.25
ACD/KOC (pH 5.5): 79923.01
ACD/LogD (pH 7.4): 6.48
ACD/BCF (pH 7.4): 49610.25
ACD/KOC (pH 7.4): 79923.01
Polar Surface Area: 61 Å2
Polarizability: 46.5±0.5 10-24cm3
Surface Tension: 45.7±5.0 dyne/cm
Molar Volume: 359.8±5.0 cm3

Click to predict properties on the Chemicalize site


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