ChemSpider 2D Image | 3-(Methylsulfanyl)-1-(2,6,6-trimethyl-2-cyclohexen-1-yl)-1-butanone | C14H24OS

3-(Methylsulfanyl)-1-(2,6,6-trimethyl-2-cyclohexen-1-yl)-1-butanone

  • Molecular FormulaC14H24OS
  • Average mass240.405 Da
  • Monoisotopic mass240.154785 Da
  • ChemSpider ID28711696

More details:

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

1-Butanone, 3-(methylthio)-1-(2,6,6-trimethyl-2-cyclohexen-1-yl)- [ACD/Index Name]
3-(Methylsulfanyl)-1-(2,6,6-trimethyl-2-cyclohexen-1-yl)-1-butanon [German] [ACD/IUPAC Name]
3-(Methylsulfanyl)-1-(2,6,6-trimethyl-2-cyclohexen-1-yl)-1-butanone [ACD/IUPAC Name]
3-(Méthylsulfanyl)-1-(2,6,6-triméthyl-2-cyclohexén-1-yl)-1-butanone [French] [ACD/IUPAC Name]
3-(Methylsulfanyl)-1-(2,6,6-trimethylcyclohex-2-en-1-yl)butan-1-one
94288-17-2 [RN]

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

Density: 1.0±0.1 g/cm3
Boiling Point: 326.1±42.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.7 mmHg at 25°C
Enthalpy of Vaporization: 56.8±3.0 kJ/mol
Flash Point: 149.3±13.6 °C
Index of Refraction: 1.488
Molar Refractivity: 72.4±0.3 cm3
#H bond acceptors: 1
#H bond donors: 0
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 4.43
ACD/LogD (pH 5.5): 4.16
ACD/BCF (pH 5.5): 856.73
ACD/KOC (pH 5.5): 4374.53
ACD/LogD (pH 7.4): 4.16
ACD/BCF (pH 7.4): 856.73
ACD/KOC (pH 7.4): 4374.53
Polar Surface Area: 42 Å2
Polarizability: 28.7±0.5 10-24cm3
Surface Tension: 31.4±3.0 dyne/cm
Molar Volume: 251.3±3.0 cm3

Click to predict properties on the Chemicalize site


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