ChemSpider 2D Image | (1R,5R,6R)-5-Ethyl-2,2,6-trimethyl-4-oxocyclohexanecarboxylic acid | C12H20O3

(1R,5R,6R)-5-Ethyl-2,2,6-trimethyl-4-oxocyclohexanecarboxylic acid

  • Molecular FormulaC12H20O3
  • Average mass212.285 Da
  • Monoisotopic mass212.141251 Da
  • ChemSpider ID110562441

  • defined stereocentres - 3 of 3 defined stereocentres

More details:

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

(1R,5R,6R)-5-Ethyl-2,2,6-trimethyl-4-oxocyclohexancarbonsäure [German] [ACD/IUPAC Name]
(1R,5R,6R)-5-Ethyl-2,2,6-trimethyl-4-oxocyclohexanecarboxylic acid [ACD/IUPAC Name]
Acide (1R,5R,6R)-5-éthyl-2,2,6-triméthyl-4-oxocyclohexanecarboxylique [French] [ACD/IUPAC Name]
Cyclohexanecarboxylic acid, 5-ethyl-2,2,6-trimethyl-4-oxo-, (1R,5R,6R)- [ACD/Index Name]

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

Density: 1.0±0.1 g/cm3
Boiling Point: 328.5±35.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.5 mmHg at 25°C
Enthalpy of Vaporization: 62.8±6.0 kJ/mol
Flash Point: 166.7±22.4 °C
Index of Refraction: 1.455
Molar Refractivity: 57.3±0.3 cm3
#H bond acceptors: 3
#H bond donors: 1
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: 2.30
ACD/LogD (pH 5.5): 1.38
ACD/BCF (pH 5.5): 3.68
ACD/KOC (pH 5.5): 44.22
ACD/LogD (pH 7.4): -0.42
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 54 Å2
Polarizability: 22.7±0.5 10-24cm3
Surface Tension: 31.1±3.0 dyne/cm
Molar Volume: 211.2±3.0 cm3

Click to predict properties on the Chemicalize site


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