ChemSpider 2D Image | (1R,2R,5S,6Z,8S)-5-Hydroxy-2,6,10,10-tetramethyl-12-oxatricyclo[6.3.1.0~1,8~]dodec-6-en-9-one | C15H22O3

(1R,2R,5S,6Z,8S)-5-Hydroxy-2,6,10,10-tetramethyl-12-oxatricyclo[6.3.1.01,8]dodec-6-en-9-one

  • Molecular FormulaC15H22O3
  • Average mass250.333 Da
  • Monoisotopic mass250.156891 Da
  • ChemSpider ID30819415

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 4 of 4 defined stereocentres

More details:

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

(1R,2R,5S,6Z,8S)-5-Hydroxy-2,6,10,10-tetramethyl-12-oxatricyclo[6.3.1.01,8]dodec-6-en-9-on [German] [ACD/IUPAC Name]
(1R,2R,5S,6Z,8S)-5-Hydroxy-2,6,10,10-tetramethyl-12-oxatricyclo[6.3.1.01,8]dodec-6-en-9-one [ACD/IUPAC Name]
(1R,2R,5S,6Z,8S)-5-Hydroxy-2,6,10,10-tétraméthyl-12-oxatricyclo[6.3.1.01,8]dodéc-6-én-9-one [French] [ACD/IUPAC Name]
3a,9a-Epoxy-1H-cyclopentacycloocten-1-one, 2,3,4,5,6,7-hexahydro-7-hydroxy-2,2,4,8-tetramethyl-, (3aR,4R,7S,8Z,9aS)- [ACD/Index Name]
capillosanane E

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

Density: 1.2±0.1 g/cm3
Boiling Point: 388.8±42.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.0 mmHg at 25°C
Enthalpy of Vaporization: 73.8±6.0 kJ/mol
Flash Point: 142.3±21.4 °C
Index of Refraction: 1.546
Molar Refractivity: 68.4±0.4 cm3
#H bond acceptors: 3
#H bond donors: 1
#Freely Rotating Bonds: 0
#Rule of 5 Violations: 0
ACD/LogP: 1.77
ACD/LogD (pH 5.5): 2.29
ACD/BCF (pH 5.5): 32.27
ACD/KOC (pH 5.5): 418.40
ACD/LogD (pH 7.4): 2.29
ACD/BCF (pH 7.4): 32.27
ACD/KOC (pH 7.4): 418.40
Polar Surface Area: 50 Å2
Polarizability: 27.1±0.5 10-24cm3
Surface Tension: 43.1±5.0 dyne/cm
Molar Volume: 216.0±5.0 cm3

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