ChemSpider 2D Image | (2R,6R)-2,6-Dimethyl-2-[2-(phenylsulfonyl)ethyl]cyclohexanone | C16H22O3S

(2R,6R)-2,6-Dimethyl-2-[2-(phenylsulfonyl)ethyl]cyclohexanone

  • Molecular FormulaC16H22O3S
  • Average mass294.409 Da
  • Monoisotopic mass294.128967 Da
  • ChemSpider ID24731839

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

(2R,6R)-2,6-Dimethyl-2-[2-(phenylsulfonyl)ethyl]cyclohexanon [German] [ACD/IUPAC Name]
(2R,6R)-2,6-Dimethyl-2-[2-(phenylsulfonyl)ethyl]cyclohexanone [ACD/IUPAC Name]
(2R,6R)-2,6-Diméthyl-2-[2-(phénylsulfonyl)éthyl]cyclohexanone [French] [ACD/IUPAC Name]
Cyclohexanone, 2,6-dimethyl-2-[2-(phenylsulfonyl)ethyl]-, (2R,6R)- [ACD/Index Name]
(2R,6R)-2,6-Dimethyl-2-(2-(phenylsulfonyl)ethyl)cyclohexanone
(2R,6R)-2-[2-(Benzenesulfonyl)ethyl]-2,6-dimethylcyclohexan-1-one
489438-06-4 [RN]

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

Density: 1.1±0.1 g/cm3
Boiling Point: 459.0±27.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.1 mmHg at 25°C
Enthalpy of Vaporization: 71.9±3.0 kJ/mol
Flash Point: 275.5±16.4 °C
Index of Refraction: 1.515
Molar Refractivity: 79.9±0.4 cm3
#H bond acceptors: 3
#H bond donors: 0
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 2.41
ACD/LogD (pH 5.5): 2.60
ACD/BCF (pH 5.5): 55.28
ACD/KOC (pH 5.5): 615.09
ACD/LogD (pH 7.4): 2.60
ACD/BCF (pH 7.4): 55.28
ACD/KOC (pH 7.4): 615.09
Polar Surface Area: 60 Å2
Polarizability: 31.7±0.5 10-24cm3
Surface Tension: 37.0±3.0 dyne/cm
Molar Volume: 265.1±3.0 cm3

Click to predict properties on the Chemicalize site


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