ChemSpider 2D Image | (2E)-1-[(1S,6R)-2,2,6-Trimethylcyclohexyl]-2-buten-1-one | C13H22O

(2E)-1-[(1S,6R)-2,2,6-Trimethylcyclohexyl]-2-buten-1-one

  • Molecular FormulaC13H22O
  • Average mass194.313 Da
  • Monoisotopic mass194.167068 Da
  • ChemSpider ID57496275

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 2 of 2 defined stereocentres

More details:

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

(2E)-1-[(1S,6R)-2,2,6-Trimethylcyclohexyl]-2-buten-1-on [German] [ACD/IUPAC Name]
(2E)-1-[(1S,6R)-2,2,6-Trimethylcyclohexyl]-2-buten-1-one [ACD/IUPAC Name]
(2E)-1-[(1S,6R)-2,2,6-Triméthylcyclohexyl]-2-butén-1-one [French] [ACD/IUPAC Name]
2-Buten-1-one, 1-[(1S,6R)-2,2,6-trimethylcyclohexyl]-, (2E)- [ACD/Index Name]

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

Density: 0.9±0.1 g/cm3
Boiling Point: 265.3±9.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.5 mmHg at 25°C
Enthalpy of Vaporization: 50.3±3.0 kJ/mol
Flash Point: 104.3±13.7 °C
Index of Refraction: 1.453
Molar Refractivity: 60.2±0.3 cm3
#H bond acceptors: 1
#H bond donors: 0
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: 4.15
ACD/LogD (pH 5.5): 4.24
ACD/BCF (pH 5.5): 984.90
ACD/KOC (pH 5.5): 4833.60
ACD/LogD (pH 7.4): 4.24
ACD/BCF (pH 7.4): 984.90
ACD/KOC (pH 7.4): 4833.60
Polar Surface Area: 17 Å2
Polarizability: 23.9±0.5 10-24cm3
Surface Tension: 26.7±3.0 dyne/cm
Molar Volume: 222.7±3.0 cm3

Click to predict properties on the Chemicalize site


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