ChemSpider 2D Image | (1R,4S,7R,8S,11R)-3,3,7,11-Tetramethyl-12-oxatricyclo[6.3.1.0~1,5~]dodec-5-ene-4,7,8-triol | C15H24O4

(1R,4S,7R,8S,11R)-3,3,7,11-Tetramethyl-12-oxatricyclo[6.3.1.01,5]dodec-5-ene-4,7,8-triol

  • Molecular FormulaC15H24O4
  • Average mass268.349 Da
  • Monoisotopic mass268.167450 Da
  • ChemSpider ID30819420

  • defined stereocentres - 5 of 5 defined stereocentres

More details:

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

(1R,4S,7R,8S,11R)-3,3,7,11-Tetramethyl-12-oxatricyclo[6.3.1.01,5]dodec-5-en-4,7,8-triol [German] [ACD/IUPAC Name]
(1R,4S,7R,8S,11R)-3,3,7,11-Tetramethyl-12-oxatricyclo[6.3.1.01,5]dodec-5-ene-4,7,8-triol [ACD/IUPAC Name]
(1R,4S,7R,8S,11R)-3,3,7,11-Tétraméthyl-12-oxatricyclo[6.3.1.01,5]dodéc-5-ène-4,7,8-triol [French] [ACD/IUPAC Name]
3a,7-Epoxy-3aH-cyclopentacyclooctene-1,7,8(4H)-triol, 1,2,3,5,6,8-hexahydro-2,2,4,8-tetramethyl-, (1S,3aR,4R,7S,8R)- [ACD/Index Name]
capillosanane J

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

Density: 1.3±0.1 g/cm3
Boiling Point: 422.8±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.3 mmHg at 25°C
Enthalpy of Vaporization: 78.2±6.0 kJ/mol
Flash Point: 209.5±28.7 °C
Index of Refraction: 1.581
Molar Refractivity: 71.4±0.4 cm3
#H bond acceptors: 4
#H bond donors: 3
#Freely Rotating Bonds: 0
#Rule of 5 Violations: 0
ACD/LogP: 1.96
ACD/LogD (pH 5.5): 1.91
ACD/BCF (pH 5.5): 16.62
ACD/KOC (pH 5.5): 260.21
ACD/LogD (pH 7.4): 1.91
ACD/BCF (pH 7.4): 16.62
ACD/KOC (pH 7.4): 260.21
Polar Surface Area: 70 Å2
Polarizability: 28.3±0.5 10-24cm3
Surface Tension: 53.1±5.0 dyne/cm
Molar Volume: 214.3±5.0 cm3

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