ChemSpider 2D Image | Methyl 4-[(E)-2-{(4Z)-4-[4-(methoxycarbonyl)benzylidene]-3-oxo-2-pentyl-1-cyclopenten-1-yl}vinyl]benzoate | C29H30O5

Methyl 4-[(E)-2-{(4Z)-4-[4-(methoxycarbonyl)benzylidene]-3-oxo-2-pentyl-1-cyclopenten-1-yl}vinyl]benzoate

  • Molecular FormulaC29H30O5
  • Average mass458.546 Da
  • Monoisotopic mass458.209320 Da
  • ChemSpider ID65227327

  • Double-bond stereo - Double-bond stereo

More details:

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

4-[(E)-2-{(4Z)-4-[4-(Méthoxycarbonyl)benzylidène]-3-oxo-2-pentyl-1-cyclopentén-1-yl}vinyl]benzoate de méthyle [French] [ACD/IUPAC Name]
Benzoic acid, 4-[(Z)-[4-[(E)-2-[4-(methoxycarbonyl)phenyl]ethenyl]-2-oxo-3-pentyl-3-cyclopenten-1-ylidene]methyl]-, methyl ester [ACD/Index Name]
Methyl 4-[(E)-2-{(4Z)-4-[4-(methoxycarbonyl)benzylidene]-3-oxo-2-pentyl-1-cyclopenten-1-yl}vinyl]benzoate [ACD/IUPAC Name]
Methyl-4-[(E)-2-{(4Z)-4-[4-(methoxycarbonyl)benzyliden]-3-oxo-2-pentyl-1-cyclopenten-1-yl}vinyl]benzoat [German] [ACD/IUPAC Name]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 639.7±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.9 mmHg at 25°C
Enthalpy of Vaporization: 94.5±3.0 kJ/mol
Flash Point: 271.7±31.5 °C
Index of Refraction: 1.636
Molar Refractivity: 137.4±0.3 cm3
#H bond acceptors: 5
#H bond donors: 0
#Freely Rotating Bonds: 11
#Rule of 5 Violations: 1
ACD/LogP: 7.51
ACD/LogD (pH 5.5): 7.12
ACD/BCF (pH 5.5): 150596.03
ACD/KOC (pH 5.5): 176952.08
ACD/LogD (pH 7.4): 7.12
ACD/BCF (pH 7.4): 150596.03
ACD/KOC (pH 7.4): 176952.08
Polar Surface Area: 70 Å2
Polarizability: 54.5±0.5 10-24cm3
Surface Tension: 52.9±3.0 dyne/cm
Molar Volume: 383.3±3.0 cm3

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