Deprecated ChemSpider Record

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ChemSpider 2D Image | 1,3,3-Trimethyl-2-oxabicyclo[2.2.2]octane | C10H18O

1,3,3-Trimethyl-2-oxabicyclo[2.2.2]octane

  • Molecular FormulaC10H18O
  • Average mass154.249 Da
  • Monoisotopic mass154.135757 Da
  • ChemSpider ID24225633
  • defined stereocentres - 1 of 2 defined stereocentres


More details:





Date of deprecation: 11:01, Aug 22, 2014
Reason for deprecation: Deprecate record: can't have only one defined stereocentre (one stereocenter defines the other)

If you believe this record was deprecated in error, please use the Comment on this record button to contact the ChemSpider team.

Common reasons for deprecation are:
  • Chemically impossible structures (eg. incorrect valence atoms)
  • Lack of any linking data sources
  • Poor depiction of a structure that is already in ChemSpider

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

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 0.9±0.1 g/cm3
Boiling Point: 174.0±8.0 °C at 760 mmHg
Vapour Pressure: 1.6±0.3 mmHg at 25°C
Enthalpy of Vaporization: 39.4±3.0 kJ/mol
Flash Point: 50.9±15.3 °C
Index of Refraction: 1.461
Molar Refractivity: 45.9±0.3 cm3
#H bond acceptors: 1
#H bond donors: 0
#Freely Rotating Bonds: 0
#Rule of 5 Violations: 0
ACD/LogP: 2.82
ACD/LogD (pH 5.5): 2.82
ACD/BCF (pH 5.5): 82.06
ACD/KOC (pH 5.5): 816.12
ACD/LogD (pH 7.4): 2.82
ACD/BCF (pH 7.4): 82.06
ACD/KOC (pH 7.4): 816.12
Polar Surface Area: 9 Å2
Polarizability: 18.2±0.5 10-24cm3
Surface Tension: 32.5±3.0 dyne/cm
Molar Volume: 167.2±3.0 cm3

Click to predict properties on the Chemicalize site


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