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Search term: MF = 'C_{11}H_{20}OS'
ChemSpider 2D Image | 4-(2-Methyl-2-propanyl)-2-(methylsulfanyl)cyclohexanone | C11H20OS

4-(2-Methyl-2-propanyl)-2-(methylsulfanyl)cyclohexanone

  • Molecular FormulaC11H20OS
  • Average mass200.341 Da
  • Monoisotopic mass200.123489 Da
  • ChemSpider ID35776853

More details:

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

4-(2-Methyl-2-propanyl)-2-(methylsulfanyl)cyclohexanon [German] [ACD/IUPAC Name]
4-(2-Methyl-2-propanyl)-2-(methylsulfanyl)cyclohexanone [ACD/IUPAC Name]
4-(2-Méthyl-2-propanyl)-2-(méthylsulfanyl)cyclohexanone [French] [ACD/IUPAC Name]
Cyclohexanone, 4-(1,1-dimethylethyl)-2-(methylthio)- [ACD/Index Name]
CYCLOHEXANONE, 4-(1,1-DIMETHYLETHYL)-2-(METHYLTHIO)-, TRANS-

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

Density: 1.0±0.1 g/cm3
Boiling Point: 286.8±33.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 52.6±3.0 kJ/mol
Flash Point: 128.4±11.1 °C
Index of Refraction: 1.489
Molar Refractivity: 59.0±0.4 cm3
#H bond acceptors: 1
#H bond donors: 0
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: 2.63
ACD/LogD (pH 5.5): 3.16
ACD/BCF (pH 5.5): 149.16
ACD/KOC (pH 5.5): 1251.71
ACD/LogD (pH 7.4): 3.16
ACD/BCF (pH 7.4): 149.16
ACD/KOC (pH 7.4): 1251.71
Polar Surface Area: 42 Å2
Polarizability: 23.4±0.5 10-24cm3
Surface Tension: 33.2±5.0 dyne/cm
Molar Volume: 204.5±5.0 cm3

Click to predict properties on the Chemicalize site


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