ChemSpider 2D Image | (1R,2S,5R)-2-Isopropenyl-5-methylcyclohexyl 4-methylbenzenesulfonate | C17H24O3S

(1R,2S,5R)-2-Isopropenyl-5-methylcyclohexyl 4-methylbenzenesulfonate

  • Molecular FormulaC17H24O3S
  • Average mass308.436 Da
  • Monoisotopic mass308.144623 Da
  • ChemSpider ID30651964

  • defined stereocentres - 3 of 3 defined stereocentres

More details:

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

(1R,2S,5R)-2-Isopropenyl-5-methylcyclohexyl 4-methylbenzenesulfonate [ACD/IUPAC Name]
(1R,2S,5R)-2-Isopropenyl-5-methylcyclohexyl-4-methylbenzolsulfonat [German] [ACD/IUPAC Name]
4-Méthylbenzènesulfonate de (1R,2S,5R)-2-isopropényl-5-méthylcyclohexyle [French] [ACD/IUPAC Name]
Cyclohexanol, 5-methyl-2-(1-methylethenyl)-, 4-methylbenzenesulfonate, (1R,2S,5R)- [ACD/Index 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: 419.8±34.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.0 mmHg at 25°C
Enthalpy of Vaporization: 64.7±3.0 kJ/mol
Flash Point: 207.7±25.7 °C
Index of Refraction: 1.538
Molar Refractivity: 85.7±0.4 cm3
#H bond acceptors: 3
#H bond donors: 0
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 1
ACD/LogP: 5.02
ACD/LogD (pH 5.5): 4.73
ACD/BCF (pH 5.5): 2302.07
ACD/KOC (pH 5.5): 8875.67
ACD/LogD (pH 7.4): 4.73
ACD/BCF (pH 7.4): 2302.07
ACD/KOC (pH 7.4): 8875.67
Polar Surface Area: 52 Å2
Polarizability: 34.0±0.5 10-24cm3
Surface Tension: 40.9±5.0 dyne/cm
Molar Volume: 273.9±5.0 cm3

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