ChemSpider 2D Image | 3,5,5-Trimethyl-2-[2-(phenylsulfonyl)ethyl]-2-cyclohexen-1-one | C17H22O3S

3,5,5-Trimethyl-2-[2-(phenylsulfonyl)ethyl]-2-cyclohexen-1-one

  • Molecular FormulaC17H22O3S
  • Average mass306.420 Da
  • Monoisotopic mass306.128967 Da
  • ChemSpider ID21132873

More details:

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

2-Cyclohexen-1-one, 3,5,5-trimethyl-2-[2-(phenylsulfonyl)ethyl]- [ACD/Index Name]
3,5,5-Trimethyl-2-[2-(phenylsulfonyl)ethyl]-2-cyclohexen-1-on [German] [ACD/IUPAC Name]
3,5,5-Trimethyl-2-[2-(phenylsulfonyl)ethyl]-2-cyclohexen-1-one [ACD/IUPAC Name]
3,5,5-Triméthyl-2-[2-(phénylsulfonyl)éthyl]-2-cyclohexén-1-one [French] [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: 478.7±38.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.2 mmHg at 25°C
Enthalpy of Vaporization: 74.3±3.0 kJ/mol
Flash Point: 290.4±19.4 °C
Index of Refraction: 1.525
Molar Refractivity: 84.0±0.4 cm3
#H bond acceptors: 3
#H bond donors: 0
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 3.03
ACD/LogD (pH 5.5): 3.44
ACD/BCF (pH 5.5): 242.78
ACD/KOC (pH 5.5): 1773.97
ACD/LogD (pH 7.4): 3.44
ACD/BCF (pH 7.4): 242.78
ACD/KOC (pH 7.4): 1773.97
Polar Surface Area: 60 Å2
Polarizability: 33.3±0.5 10-24cm3
Surface Tension: 36.9±3.0 dyne/cm
Molar Volume: 274.4±3.0 cm3

Click to predict properties on the Chemicalize site


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