Deprecated ChemSpider Record

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ChemSpider 2D Image | (1S,5R)-4,6,6-trimethylbicyclo[3.1.1]hept-3-ene | C10H16

(1S,5R)-4,6,6-trimethylbicyclo[3.1.1]hept-3-ene

  • Molecular FormulaC10H16
  • Average mass136.234 Da
  • Monoisotopic mass136.125000 Da
  • ChemSpider ID25996178
  • defined stereocentres - 2 of 2 defined stereocentres


More details:





Date of deprecation: 11:14, Dec 17, 2013
Reason for deprecation: Deprecate record: Poor attempt to depict 1S,5S- stereoisomer.

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±0.0 g/cm3
Boiling Point: 157.9±0.0 °C at 760 mmHg
Vapour Pressure: 3.5±0.0 mmHg at 25°C
Enthalpy of Vaporization: 37.8±0.0 kJ/mol
Flash Point: 32.2±0.0 °C
Index of Refraction: 1.479
Molar Refractivity: 44.0±0.0 cm3
#H bond acceptors: 0
#H bond donors: 0
#Freely Rotating Bonds: 0
#Rule of 5 Violations: 0
ACD/LogP: 4.32
ACD/LogD (pH 5.5): 4.32
ACD/BCF (pH 5.5): 1131.58
ACD/KOC (pH 5.5): 5338.61
ACD/LogD (pH 7.4): 4.32
ACD/BCF (pH 7.4): 1131.58
ACD/KOC (pH 7.4): 5338.61
Polar Surface Area: 0 Å2
Polarizability: 17.4±0.0 10-24cm3
Surface Tension: 25.3±0.0 dyne/cm
Molar Volume: 154.9±0.0 cm3

Click to predict properties on the Chemicalize site


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