ChemSpider 2D Image | (1R,2R,3R,6S,8R,9S,10S)-9-Methyl-7,12-dioxatetracyclo[6.4.0.0~2,6~.0~3,10~]dodec-4-en-11-one | C11H12O3

(1R,2R,3R,6S,8R,9S,10S)-9-Methyl-7,12-dioxatetracyclo[6.4.0.02,6.03,10]dodec-4-en-11-one

  • Molecular FormulaC11H12O3
  • Average mass192.211 Da
  • Monoisotopic mass192.078644 Da
  • ChemSpider ID30651792

  • defined stereocentres - 7 of 7 defined stereocentres

More details:

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

(1R,2R,3R,6S,8R,9S,10S)-9-Methyl-7,12-dioxatetracyclo[6.4.0.02,6.03,10]dodec-4-en-11-on [German] [ACD/IUPAC Name]
(1R,2R,3R,6S,8R,9S,10S)-9-Methyl-7,12-dioxatetracyclo[6.4.0.02,6.03,10]dodec-4-en-11-one [ACD/IUPAC Name]
(1R,2R,3R,6S,8R,9S,10S)-9-Méthyl-7,12-dioxatétracyclo[6.4.0.02,6.03,10]dodéc-4-én-11-one [French] [ACD/IUPAC Name]
1,5-Methano-6H-2,7-dioxacyclopent[cd]inden-6-one, 1,2a,4a,5,7a,7b-hexahydro-8-methyl-, (1R,2aS,4aR,5S,7aR,7bR,8S)- [ACD/Index Name]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 361.9±42.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.8 mmHg at 25°C
Enthalpy of Vaporization: 60.8±3.0 kJ/mol
Flash Point: 151.1±22.5 °C
Index of Refraction: 1.562
Molar Refractivity: 47.9±0.3 cm3
#H bond acceptors: 3
#H bond donors: 0
#Freely Rotating Bonds: 0
#Rule of 5 Violations: 0
ACD/LogP: 0.23
ACD/LogD (pH 5.5): 0.74
ACD/BCF (pH 5.5): 2.13
ACD/KOC (pH 5.5): 59.82
ACD/LogD (pH 7.4): 0.74
ACD/BCF (pH 7.4): 2.13
ACD/KOC (pH 7.4): 59.82
Polar Surface Area: 36 Å2
Polarizability: 19.0±0.5 10-24cm3
Surface Tension: 40.0±3.0 dyne/cm
Molar Volume: 147.8±3.0 cm3

Click to predict properties on the Chemicalize site


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