ChemSpider 2D Image | 4-[(1R,6R)-2,2,6-Trimethylcyclohexyl]-2-butanone | C13H24O

4-[(1R,6R)-2,2,6-Trimethylcyclohexyl]-2-butanone

  • Molecular FormulaC13H24O
  • Average mass196.329 Da
  • Monoisotopic mass196.182709 Da
  • ChemSpider ID128943064

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

2-Butanone, 4-[(1R,6R)-2,2,6-trimethylcyclohexyl]- [ACD/Index Name]
4-[(1R,6R)-2,2,6-Trimethylcyclohexyl]-2-butanon [German] [ACD/IUPAC Name]
4-[(1R,6R)-2,2,6-Trimethylcyclohexyl]-2-butanone [ACD/IUPAC Name]
4-[(1R,6R)-2,2,6-Triméthylcyclohexyl]-2-butanone [French] [ACD/IUPAC Name]

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

Density: 0.8±0.1 g/cm3
Boiling Point: 242.4±8.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.5 mmHg at 25°C
Enthalpy of Vaporization: 47.9±3.0 kJ/mol
Flash Point: 80.3±12.1 °C
Index of Refraction: 1.432
Molar Refractivity: 60.3±0.3 cm3
#H bond acceptors: 1
#H bond donors: 0
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 4.49
ACD/LogD (pH 5.5): 3.77
ACD/BCF (pH 5.5): 432.89
ACD/KOC (pH 5.5): 2683.66
ACD/LogD (pH 7.4): 3.77
ACD/BCF (pH 7.4): 432.89
ACD/KOC (pH 7.4): 2683.66
Polar Surface Area: 17 Å2
Polarizability: 23.9±0.5 10-24cm3
Surface Tension: 27.3±3.0 dyne/cm
Molar Volume: 232.6±3.0 cm3

Click to predict properties on the Chemicalize site


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