ChemSpider 2D Image | 5-Hydroxy-3-{2-[(1R,6S,11S,12R)-11-hydroxy-5,5,9-trimethyl-10-oxatricyclo[7.2.1.0~1,6~]dodec-12-yl]ethyl}-2(5H)-furanone | C20H30O5

5-Hydroxy-3-{2-[(1R,6S,11S,12R)-11-hydroxy-5,5,9-trimethyl-10-oxatricyclo[7.2.1.01,6]dodec-12-yl]ethyl}-2(5H)-furanone

  • Molecular FormulaC20H30O5
  • Average mass350.449 Da
  • Monoisotopic mass350.209320 Da
  • ChemSpider ID40256700

  • defined stereocentres - 4 of 6 defined stereocentres

More details:

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

2(5H)-Furanone, 5-hydroxy-3-[2-[(1S,5aS,9aR,10R)-octahydro-1-hydroxy-3,6,6-trimethyl-1H-3,9a-methano-2-benzoxepin-10-yl]ethyl]- [ACD/Index Name]
5-Hydroxy-3-{2-[(1R,6S,11S,12R)-11-hydroxy-5,5,9-trimethyl-10-oxatricyclo[7.2.1.01,6]dodec-12-yl]ethyl}-2(5H)-furanon [German] [ACD/IUPAC Name]
5-Hydroxy-3-{2-[(1R,6S,11S,12R)-11-hydroxy-5,5,9-trimethyl-10-oxatricyclo[7.2.1.01,6]dodec-12-yl]ethyl}-2(5H)-furanone [ACD/IUPAC Name]
5-Hydroxy-3-{2-[(1R,6S,11S,12R)-11-hydroxy-5,5,9-triméthyl-10-oxatricyclo[7.2.1.01,6]dodéc-12-yl]éthyl}-2(5H)-furanone [French] [ACD/IUPAC 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: 544.6±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.3 mmHg at 25°C
Enthalpy of Vaporization: 94.6±6.0 kJ/mol
Flash Point: 191.8±23.6 °C
Index of Refraction: 1.569
Molar Refractivity: 92.8±0.4 cm3
#H bond acceptors: 5
#H bond donors: 2
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 1.38
ACD/LogD (pH 5.5): 1.85
ACD/BCF (pH 5.5): 14.95
ACD/KOC (pH 5.5): 241.21
ACD/LogD (pH 7.4): 1.85
ACD/BCF (pH 7.4): 14.91
ACD/KOC (pH 7.4): 240.62
Polar Surface Area: 76 Å2
Polarizability: 36.8±0.5 10-24cm3
Surface Tension: 51.3±5.0 dyne/cm
Molar Volume: 283.1±5.0 cm3

Click to predict properties on the Chemicalize site


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