ChemSpider 2D Image | Methyl {(1S,6Z)-6-[(2E)-1-hydroxy-3-phenyl-2-propen-1-ylidene]-5-oxo-3-cyclohexen-1-yl}acetate | C18H18O4

Methyl {(1S,6Z)-6-[(2E)-1-hydroxy-3-phenyl-2-propen-1-ylidene]-5-oxo-3-cyclohexen-1-yl}acetate

  • Molecular FormulaC18H18O4
  • Average mass298.333 Da
  • Monoisotopic mass298.120514 Da
  • ChemSpider ID32768712

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 1 of 1 defined stereocentres

More details:

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

{(1S,6Z)-6-[(2E)-1-Hydroxy-3-phényl-2-propén-1-ylidène]-5-oxo-3-cyclohexén-1-yl}acétate de méthyle [French] [ACD/IUPAC Name]
3-Cyclohexene-1-acetic acid, 6-[(2E)-1-hydroxy-3-phenyl-2-propen-1-ylidene]-5-oxo-, methyl ester, (1S,6Z)- [ACD/Index Name]
Methyl {(1S,6Z)-6-[(2E)-1-hydroxy-3-phenyl-2-propen-1-ylidene]-5-oxo-3-cyclohexen-1-yl}acetate [ACD/IUPAC Name]
Methyl-{(1S,6Z)-6-[(2E)-1-hydroxy-3-phenyl-2-propen-1-yliden]-5-oxo-3-cyclohexen-1-yl}acetat [German] [ACD/IUPAC Name]
methyl 2-((S,3Z)-6-((E)-1-hydroxy-3-phenylallylidene)-5-oxocyclohex-3-enyl)acetate

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

Density: 1.2±0.1 g/cm3
Boiling Point: 486.2±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.3 mmHg at 25°C
Enthalpy of Vaporization: 79.2±3.0 kJ/mol
Flash Point: 176.5±22.2 °C
Index of Refraction: 1.603
Molar Refractivity: 84.3±0.3 cm3
#H bond acceptors: 4
#H bond donors: 1
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 2.97
ACD/LogD (pH 5.5): 1.76
ACD/BCF (pH 5.5): 7.17
ACD/KOC (pH 5.5): 72.15
ACD/LogD (pH 7.4): -0.01
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.25
Polar Surface Area: 64 Å2
Polarizability: 33.4±0.5 10-24cm3
Surface Tension: 50.9±3.0 dyne/cm
Molar Volume: 245.6±3.0 cm3

Click to predict properties on the Chemicalize site


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