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Search term: AUPUKNGQCOKVQE (Found by InChIKey (skeleton match))

ChemSpider 2D Image | [(1R,2R,5S)-2-Methyl-2-(2-oxoethyl)-4-(tetrahydro-2H-pyran-2-yloxy)bicyclo[3.1.0]hex-3-ylidene]methylium | C15H21O3


  • Molecular FormulaC15H21O3
  • Average mass249.325 Da
  • Monoisotopic mass249.148514 Da
  • ChemSpider ID77409608
  • Charge - Charge

    defined stereocentres - 3 of 5 defined stereocentres

More details:

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

[(1R,2R,5S)-2-Methyl-2-(2-oxoethyl)-4-(tetrahydro-2H-pyran-2-yloxy)bicyclo[3.1.0]hex-3-yliden]methylium [German] [ACD/IUPAC Name]
[(1R,2R,5S)-2-Methyl-2-(2-oxoethyl)-4-(tetrahydro-2H-pyran-2-yloxy)bicyclo[3.1.0]hex-3-ylidene]methylium [ACD/IUPAC Name]
[(1R,2R,5S)-2-Méthyl-2-(2-oxoéthyl)-4-(tétrahydro-2H-pyran-2-yloxy)bicyclo[3.1.0]hex-3-ylidène]méthylium [French] [ACD/IUPAC Name]
Methylium, [(1R,2R,5S)-2-methyl-2-(2-oxoethyl)-4-[(tetrahydro-2H-pyran-2-yl)oxy]bicyclo[3.1.0]hex-3-ylidene]- [ACD/Index Name]

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

Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction:
Molar Refractivity:
#H bond acceptors: 3
#H bond donors: 0
#Freely Rotating Bonds: 4
#Rule of 5 Violations:
ACD/LogD (pH 5.5):
ACD/BCF (pH 5.5):
ACD/KOC (pH 5.5):
ACD/LogD (pH 7.4):
ACD/BCF (pH 7.4):
ACD/KOC (pH 7.4):
Polar Surface Area: 36 Å2
Surface Tension:
Molar Volume:

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