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Search term: ROVGZAWFACYCSP-MQBLHHJJSA-N (Found by InChIKey (full match))

ChemSpider 2D Image | 2-Methyl-4-oxo-3-[(2Z)-2,4-pentadien-1-yl]-2-cyclopenten-1-yl 2,2-dimethyl-3-(2-methyl-1-propen-1-yl)cyclopropanecarboxylate | C21H28O3

2-Methyl-4-oxo-3-[(2Z)-2,4-pentadien-1-yl]-2-cyclopenten-1-yl 2,2-dimethyl-3-(2-methyl-1-propen-1-yl)cyclopropanecarboxylate

  • Molecular FormulaC21H28O3
  • Average mass328.445 Da
  • Monoisotopic mass328.203857 Da
  • ChemSpider ID24628633
  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 2 of 3 defined stereocentres


More details:






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

2,2-Diméthyl-3-(2-méthyl-1-propén-1-yl)cyclopropanecarboxylate de 2-méthyl-4-oxo-3-[(2Z)-2,4-pentadién-1-yl]-2-cyclopentén-1-yle [French] [ACD/IUPAC Name]
2-Methyl-4-oxo-3-[(2Z)-2,4-pentadien-1-yl]-2-cyclopenten-1-yl 2,2-dimethyl-3-(2-methyl-1-propen-1-yl)cyclopropanecarboxylate [ACD/IUPAC Name]
2-Methyl-4-oxo-3-[(2Z)-2,4-pentadien-1-yl]-2-cyclopenten-1-yl-2,2-dimethyl-3-(2-methyl-1-propen-1-yl)cyclopropancarboxylat [German] [ACD/IUPAC Name]
Cyclopropanecarboxylic acid, 2,2-dimethyl-3-(2-methyl-1-propen-1-yl)-, 2-methyl-4-oxo-3-[(2Z)-2,4-pentadien-1-yl]-2-cyclopenten-1-yl ester [ACD/Index Name]
Pyrethrum

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

Density: 1.0±0.1 g/cm3
Boiling Point: 424.3±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.0 mmHg at 25°C
Enthalpy of Vaporization: 67.9±3.0 kJ/mol
Flash Point: 182.2±28.8 °C
Index of Refraction: 1.525
Molar Refractivity: 95.9±0.4 cm3
#H bond acceptors: 3
#H bond donors: 0
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 1
ACD/LogP: 5.49
ACD/LogD (pH 5.5): 5.44
ACD/BCF (pH 5.5): 8006.50
ACD/KOC (pH 5.5): 21660.81
ACD/LogD (pH 7.4): 5.44
ACD/BCF (pH 7.4): 8006.50
ACD/KOC (pH 7.4): 21660.81
Polar Surface Area: 43 Å2
Polarizability: 38.0±0.5 10-24cm3
Surface Tension: 37.3±5.0 dyne/cm
Molar Volume: 313.2±5.0 cm3

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