ChemSpider 2D Image | (1S,4S,5E,8R,9R)-4-Hydroxy-8-isopropenyl-5-methyl-10-oxabicyclo[7.2.1]dodec-5-en-11-one | C15H22O3

(1S,4S,5E,8R,9R)-4-Hydroxy-8-isopropenyl-5-methyl-10-oxabicyclo[7.2.1]dodec-5-en-11-one

  • Molecular FormulaC15H22O3
  • Average mass250.333 Da
  • Monoisotopic mass250.156891 Da
  • ChemSpider ID29420182

  • 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

(1S,4S,5E,8R,9R)-4-Hydroxy-8-isopropenyl-5-methyl-10-oxabicyclo[7.2.1]dodec-5-en-11-on [German] [ACD/IUPAC Name]
(1S,4S,5E,8R,9R)-4-Hydroxy-8-isopropenyl-5-methyl-10-oxabicyclo[7.2.1]dodec-5-en-11-one [ACD/IUPAC Name]
(1S,4S,5E,8R,9R)-4-Hydroxy-8-isopropényl-5-méthyl-10-oxabicyclo[7.2.1]dodéc-5-én-11-one [French] [ACD/IUPAC Name]
10-Oxabicyclo[7.2.1]dodec-5-en-11-one, 4-hydroxy-5-methyl-8-(1-methylethenyl)-, (1S,4S,5E,8R,9R)- [ACD/Index Name]

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

Density: 1.1±0.1 g/cm3
Boiling Point: 420.5±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.2 mmHg at 25°C
Enthalpy of Vaporization: 77.9±6.0 kJ/mol
Flash Point: 176.4±21.5 °C
Index of Refraction: 1.505
Molar Refractivity: 69.8±0.3 cm3
#H bond acceptors: 3
#H bond donors: 1
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 0
ACD/LogP: 2.16
ACD/LogD (pH 5.5): 2.81
ACD/BCF (pH 5.5): 80.74
ACD/KOC (pH 5.5): 806.67
ACD/LogD (pH 7.4): 2.81
ACD/BCF (pH 7.4): 80.74
ACD/KOC (pH 7.4): 806.67
Polar Surface Area: 47 Å2
Polarizability: 27.7±0.5 10-24cm3
Surface Tension: 35.8±3.0 dyne/cm
Molar Volume: 235.2±3.0 cm3

Click to predict properties on the Chemicalize site


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