ChemSpider 2D Image | [(1S)-2-methyl-4-oxo-3-[(2Z)-penta-2,4-dienyl]cyclopent-2-en-1-yl] (1S,3S)-3-[(E)-3-methoxy-2-methyl-3-oxo-prop-1-enyl]-2,2-dimethyl-cyclopropanecarboxylate | C22H28O5

[(1S)-2-methyl-4-oxo-3-[(2Z)-penta-2,4-dienyl]cyclopent-2-en-1-yl] (1S,3S)-3-[(E)-3-methoxy-2-methyl-3-oxo-prop-1-enyl]-2,2-dimethyl-cyclopropanecarboxylate

  • Molecular FormulaC22H28O5
  • Average mass372.455 Da
  • Monoisotopic mass372.193665 Da
  • ChemSpider ID107433106
  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 3 of 3 defined stereocentres


More details:






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

(1S)-2-Methyl-4-oxo-3-[(2Z)-2,4-pentadien-1-yl]-2-cyclopenten-1-yl-(1S,3S)-3-[(1E)-3-methoxy-2-methyl-3-oxo-1-propen-1-yl]-2,2-dimethylcyclopropancarboxylat [German] [ACD/IUPAC Name]
(1S,3S)-3-[(1E)-3-Méthoxy-2-méthyl-3-oxo-1-propén-1-yl]-2,2-diméthylcyclopropanecarboxylate de (1S)-2-méthyl-4-oxo-3-[(2Z)-2,4-pentadién-1-yl]-2-cyclopentén-1-yle [French] [ACD/IUPAC Name]
121-29-9 [RN]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.1±0.1 g/cm3
Boiling Point: 473.7±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.2 mmHg at 25°C
Enthalpy of Vaporization: 73.7±3.0 kJ/mol
Flash Point: 203.8±28.8 °C
Index of Refraction: 1.528
Molar Refractivity: 102.4±0.4 cm3
#H bond acceptors: 5
#H bond donors: 0
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 0
ACD/LogP: 4.43
ACD/LogD (pH 5.5): 4.42
ACD/BCF (pH 5.5): 1339.99
ACD/KOC (pH 5.5): 6025.30
ACD/LogD (pH 7.4): 4.42
ACD/BCF (pH 7.4): 1339.99
ACD/KOC (pH 7.4): 6025.30
Polar Surface Area: 70 Å2
Polarizability: 40.6±0.5 10-24cm3
Surface Tension: 40.7±5.0 dyne/cm
Molar Volume: 332.3±5.0 cm3

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