ChemSpider 2D Image | 2-(Cyclohexylmethylene)quinuclidin-3-one | C14H21NO

2-(Cyclohexylmethylene)quinuclidin-3-one

  • Molecular FormulaC14H21NO
  • Average mass219.323 Da
  • Monoisotopic mass219.162308 Da
  • ChemSpider ID21178256

  • Double-bond stereo - Double-bond stereo

More details:

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

1-Azabicyclo[2.2.2]octan-3-one, 2-(cyclohexylmethylene)- [ACD/Index Name]
2-(Cyclohexylmethylen)chinuclidin-3-on [German] [ACD/IUPAC Name]
2-(Cyclohexylmethylene)quinuclidin-3-one [ACD/IUPAC Name]
2-(Cyclohexylméthylène)quinuclidin-3-one [French] [ACD/IUPAC Name]

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

Density: 1.1±0.1 g/cm3
Boiling Point: 372.1±12.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.8 mmHg at 25°C
Enthalpy of Vaporization: 61.9±3.0 kJ/mol
Flash Point: 144.4±8.9 °C
Index of Refraction: 1.553
Molar Refractivity: 64.4±0.4 cm3
#H bond acceptors: 2
#H bond donors: 0
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 0
ACD/LogP: 3.13
ACD/LogD (pH 5.5): 2.83
ACD/BCF (pH 5.5): 82.70
ACD/KOC (pH 5.5): 808.75
ACD/LogD (pH 7.4): 2.86
ACD/BCF (pH 7.4): 87.00
ACD/KOC (pH 7.4): 850.84
Polar Surface Area: 20 Å2
Polarizability: 25.5±0.5 10-24cm3
Surface Tension: 42.4±5.0 dyne/cm
Molar Volume: 201.3±5.0 cm3

Click to predict properties on the Chemicalize site


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