Found 11 results

Search term: QJOWFYQIUZMPRY (Found by InChIKey (skeleton match))
ChemSpider 2D Image | (6S)-6-[(1R,4R)-4,5-Dihydroxy-4-methyl-2-cyclohexen-1-yl]-2-methyl-2-hepten-4-one | C15H24O3

(6S)-6-[(1R,4R)-4,5-Dihydroxy-4-methyl-2-cyclohexen-1-yl]-2-methyl-2-hepten-4-one

  • Molecular FormulaC15H24O3
  • Average mass252.349 Da
  • Monoisotopic mass252.172546 Da
  • ChemSpider ID95532707

  • defined stereocentres - 2 of 4 defined stereocentres

More details:

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

(6S)-6-[(1R,4R)-4,5-Dihydroxy-4-methyl-2-cyclohexen-1-yl]-2-methyl-2-hepten-4-on [German] [ACD/IUPAC Name]
(6S)-6-[(1R,4R)-4,5-Dihydroxy-4-methyl-2-cyclohexen-1-yl]-2-methyl-2-hepten-4-one [ACD/IUPAC Name]
(6S)-6-[(1R,4R)-4,5-Dihydroxy-4-méthyl-2-cyclohexén-1-yl]-2-méthyl-2-heptén-4-one [French] [ACD/IUPAC Name]
2-Hepten-4-one, 6-[(1R,4R)-4,5-dihydroxy-4-methyl-2-cyclohexen-1-yl]-2-methyl-, (6S)- [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: 377.7±42.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.9 mmHg at 25°C
Enthalpy of Vaporization: 72.4±6.0 kJ/mol
Flash Point: 196.4±24.4 °C
Index of Refraction: 1.519
Molar Refractivity: 72.0±0.3 cm3
#H bond acceptors: 3
#H bond donors: 2
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 1.74
ACD/LogD (pH 5.5): 1.79
ACD/BCF (pH 5.5): 13.48
ACD/KOC (pH 5.5): 224.02
ACD/LogD (pH 7.4): 1.79
ACD/BCF (pH 7.4): 13.48
ACD/KOC (pH 7.4): 224.02
Polar Surface Area: 58 Å2
Polarizability: 28.6±0.5 10-24cm3
Surface Tension: 41.4±3.0 dyne/cm
Molar Volume: 237.3±3.0 cm3

Click to predict properties on the Chemicalize site


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