ChemSpider 2D Image | ISOKOBUSONE | C14H22O2

ISOKOBUSONE

  • Molecular FormulaC14H22O2
  • Average mass222.323 Da
  • Monoisotopic mass222.161987 Da
  • ChemSpider ID30791727

  • defined stereocentres - 3 of 3 defined stereocentres

More details:

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

(1S,5S,9R)-5-Hydroxy-10,10-dimethyl-6-methylenbicyclo[7.2.0]undecan-2-on [German] [ACD/IUPAC Name]
(1S,5S,9R)-5-Hydroxy-10,10-dimethyl-6-methylenebicyclo[7.2.0]undecan-2-one [ACD/IUPAC Name]
(1S,5S,9R)-5-Hydroxy-10,10-diméthyl-6-méthylènebicyclo[7.2.0]undécan-2-one [French] [ACD/IUPAC Name]
24173-72-6 [RN]
Bicyclo[7.2.0]undecan-2-one, 5-hydroxy-10,10-dimethyl-6-methylene-, (1S,5S,9R)- [ACD/Index Name]
ISOKOBUSONE
(1S,5S,9R)-5-Hydroxy-10,10-dimethyl-6-methylidenebicyclo[7.2.0]undecan-2-one

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

Density: 1.0±0.1 g/cm3
Boiling Point: 340.7±35.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.7 mmHg at 25°C
Enthalpy of Vaporization: 67.7±6.0 kJ/mol
Flash Point: 145.0±18.5 °C
Index of Refraction: 1.509
Molar Refractivity: 63.9±0.4 cm3
#H bond acceptors: 2
#H bond donors: 1
#Freely Rotating Bonds: 0
#Rule of 5 Violations: 0
ACD/LogP: 2.57
ACD/LogD (pH 5.5): 2.63
ACD/BCF (pH 5.5): 58.59
ACD/KOC (pH 5.5): 641.22
ACD/LogD (pH 7.4): 2.63
ACD/BCF (pH 7.4): 58.59
ACD/KOC (pH 7.4): 641.22
Polar Surface Area: 37 Å2
Polarizability: 25.3±0.5 10-24cm3
Surface Tension: 37.4±5.0 dyne/cm
Molar Volume: 214.1±5.0 cm3

Click to predict properties on the Chemicalize site


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