ChemSpider 2D Image | (6R,8R)-7,7-Dimethyl-6,8-methano-2,3,4,5,6,7,8,10a-octahydro-xanthen-1-one | C16H20O2

(6R,8R)-7,7-Dimethyl-6,8-methano-2,3,4,5,6,7,8,10a-octahydro-xanthen-1-one

  • Molecular FormulaC16H20O2
  • Average mass244.329 Da
  • Monoisotopic mass244.146332 Da
  • ChemSpider ID21108242

  • defined stereocentres - 3 of 3 defined stereocentres

More details:

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

(1R,11R,13R)-14,14-Dimethyl-10-oxatetracyclo[11.1.1.02,11.04,9]pentadeca-2,4(9)-dien-5-on [German] [ACD/IUPAC Name]
(1R,11R,13R)-14,14-Dimethyl-10-oxatetracyclo[11.1.1.02,11.04,9]pentadeca-2,4(9)-dien-5-one [ACD/IUPAC Name]
(1R,11R,13R)-14,14-Diméthyl-10-oxatétracyclo[11.1.1.02,11.04,9]pentadéca-2,4(9)-dién-5-one [French] [ACD/IUPAC Name]
(6R,8R)-7,7-Dimethyl-6,8-methano-2,3,4,5,6,7,8,10a-octahydro-xanthen-1-one
1,3-Methano-8H-xanthen-8-one, 1,2,3,4,4a,5,6,7-octahydro-2,2-dimethyl-, (1R,3R,4aR)- [ACD/Index Name]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 403.6±25.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.9 mmHg at 25°C
Enthalpy of Vaporization: 65.5±3.0 kJ/mol
Flash Point: 184.6±16.7 °C
Index of Refraction: 1.574
Molar Refractivity: 68.9±0.4 cm3
#H bond acceptors: 2
#H bond donors: 0
#Freely Rotating Bonds: 0
#Rule of 5 Violations: 0
ACD/LogP: 3.17
ACD/LogD (pH 5.5): 4.01
ACD/BCF (pH 5.5): 656.47
ACD/KOC (pH 5.5): 3615.45
ACD/LogD (pH 7.4): 4.01
ACD/BCF (pH 7.4): 656.47
ACD/KOC (pH 7.4): 3615.45
Polar Surface Area: 26 Å2
Polarizability: 27.3±0.5 10-24cm3
Surface Tension: 42.3±5.0 dyne/cm
Molar Volume: 208.9±5.0 cm3

Click to predict properties on the Chemicalize site


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