ChemSpider 2D Image | [(1S,6S,9S)-2,6-Dimethyl-11-oxatricyclo[7.2.1.0~1,6~]dodec-2-ene-10,10-diyl]dimethanol | C15H24O3

[(1S,6S,9S)-2,6-Dimethyl-11-oxatricyclo[7.2.1.01,6]dodec-2-ene-10,10-diyl]dimethanol

  • Molecular FormulaC15H24O3
  • Average mass252.349 Da
  • Monoisotopic mass252.172546 Da
  • ChemSpider ID44210921

  • defined stereocentres - 3 of 3 defined stereocentres

More details:

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

[(1S,6S,9S)-2,6-Dimethyl-11-oxatricyclo[7.2.1.01,6]dodec-2-en-10,10-diyl]dimethanol [German] [ACD/IUPAC Name]
[(1S,6S,9S)-2,6-Dimethyl-11-oxatricyclo[7.2.1.01,6]dodec-2-ene-10,10-diyl]dimethanol [ACD/IUPAC Name]
[(1S,6S,9S)-2,6-Diméthyl-11-oxatricyclo[7.2.1.01,6]dodéc-2-ène-10,10-diyl]diméthanol [French] [ACD/IUPAC Name]
2H-3,9a-Methano-1-benzoxepin-2,2-dimethanol, 3,4,5,5a,6,7-hexahydro-5a,9-dimethyl-, (3S,5aS,9aS)- [ACD/Index Name]
Thomimarine C

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

Density: 1.2±0.1 g/cm3
Boiling Point: 386.6±17.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.0 mmHg at 25°C
Enthalpy of Vaporization: 73.5±6.0 kJ/mol
Flash Point: 187.6±20.9 °C
Index of Refraction: 1.561
Molar Refractivity: 69.9±0.4 cm3
#H bond acceptors: 3
#H bond donors: 2
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: 2.42
ACD/LogD (pH 5.5): 2.77
ACD/BCF (pH 5.5): 74.31
ACD/KOC (pH 5.5): 760.14
ACD/LogD (pH 7.4): 2.77
ACD/BCF (pH 7.4): 74.31
ACD/KOC (pH 7.4): 760.14
Polar Surface Area: 50 Å2
Polarizability: 27.7±0.5 10-24cm3
Surface Tension: 47.7±5.0 dyne/cm
Molar Volume: 215.9±5.0 cm3

Click to predict properties on the Chemicalize site


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