ChemSpider 2D Image | 1-(2,2-Dimethyl-1,1-dioxidotetrahydro-3-thiophenyl)-4-oxocyclohexanecarboxylic acid | C13H20O5S

1-(2,2-Dimethyl-1,1-dioxidotetrahydro-3-thiophenyl)-4-oxocyclohexanecarboxylic acid

  • Molecular FormulaC13H20O5S
  • Average mass288.360 Da
  • Monoisotopic mass288.103149 Da
  • ChemSpider ID65780149

More details:

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

1-(2,2-Dimethyl-1,1-dioxidotetrahydro-3-thiophenyl)-4-oxocyclohexancarbonsäure [German] [ACD/IUPAC Name]
1-(2,2-Dimethyl-1,1-dioxidotetrahydro-3-thiophenyl)-4-oxocyclohexanecarboxylic acid [ACD/IUPAC Name]
Acide 1-(2,2-diméthyl-1,1-dioxydotétrahydro-3-thiophényl)-4-oxocyclohexanecarboxylique [French] [ACD/IUPAC Name]
Cyclohexanecarboxylic acid, 4-oxo-1-(tetrahydro-2,2-dimethyl-1,1-dioxido-3-thienyl)- [ACD/Index Name]
1-(2,2-dimethyl-1,1-dioxo-1λ6-thiolan-3-yl)-4-oxocyclohexane-1-carboxylic acid
2229467-84-7 [RN]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 519.3±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.9 mmHg at 25°C
Enthalpy of Vaporization: 86.7±6.0 kJ/mol
Flash Point: 267.9±30.1 °C
Index of Refraction: 1.534
Molar Refractivity: 68.7±0.4 cm3
#H bond acceptors: 5
#H bond donors: 1
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: -0.18
ACD/LogD (pH 5.5): -1.58
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -3.27
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 97 Å2
Polarizability: 27.2±0.5 10-24cm3
Surface Tension: 50.6±3.0 dyne/cm
Molar Volume: 221.0±3.0 cm3

Click to predict properties on the Chemicalize site


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