ChemSpider 2D Image | (1S)-2-Methyl-4-oxo-3-[(1E)-1-propen-1-yl]-2-cyclopenten-1-yl (1R,3R)-2,2-dimethyl-3-(2-methyl-1-propen-1-yl)cyclopropanecarboxylate | C19H26O3

(1S)-2-Methyl-4-oxo-3-[(1E)-1-propen-1-yl]-2-cyclopenten-1-yl (1R,3R)-2,2-dimethyl-3-(2-methyl-1-propen-1-yl)cyclopropanecarboxylate

  • Molecular FormulaC19H26O3
  • Average mass302.408 Da
  • Monoisotopic mass302.188202 Da
  • ChemSpider ID30782575

  • 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

(1R,3R)-2,2-Diméthyl-3-(2-méthyl-1-propén-1-yl)cyclopropanecarboxylate de (1S)-2-méthyl-4-oxo-3-[(1E)-1-propén-1-yl]-2-cyclopentén-1-yle [French] [ACD/IUPAC Name]
(1S)-2-Methyl-4-oxo-3-[(1E)-1-propen-1-yl]-2-cyclopenten-1-yl (1R,3R)-2,2-dimethyl-3-(2-methyl-1-propen-1-yl)cyclopropanecarboxylate [ACD/IUPAC Name]
(1S)-2-Methyl-4-oxo-3-[(1E)-1-propen-1-yl]-2-cyclopenten-1-yl-(1R,3R)-2,2-dimethyl-3-(2-methyl-1-propen-1-yl)cyclopropancarboxylat [German] [ACD/IUPAC Name]
28434-00-6 [RN]
Cyclopropanecarboxylic acid, 2,2-dimethyl-3-(2-methyl-1-propen-1-yl)-, (1S)-2-methyl-4-oxo-3-[(1E)-1-propen-1-yl]-2-cyclopenten-1-yl ester, (1R,3R)- [ACD/Index Name]
[(1S)-2-methyl-4-oxo-3-[(E)-prop-1-enyl]cyclopent-2-en-1-yl] (1R,3R)-2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropanecarboxylate
[28434-00-6] [RN]
d-Allethrin
MFCD00167397 [MDL number]
S-Bioallethrin

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

Density: 1.1±0.1 g/cm3
Boiling Point: 398.5±42.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.9 mmHg at 25°C
Enthalpy of Vaporization: 64.9±3.0 kJ/mol
Flash Point: 171.8±27.9 °C
Index of Refraction: 1.521
Molar Refractivity: 86.9±0.4 cm3
#H bond acceptors: 3
#H bond donors: 0
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 4.77
ACD/LogD (pH 5.5): 5.09
ACD/BCF (pH 5.5): 4377.03
ACD/KOC (pH 5.5): 14058.85
ACD/LogD (pH 7.4): 5.09
ACD/BCF (pH 7.4): 4377.03
ACD/KOC (pH 7.4): 14058.85
Polar Surface Area: 43 Å2
Polarizability: 34.4±0.5 10-24cm3
Surface Tension: 37.1±5.0 dyne/cm
Molar Volume: 285.5±5.0 cm3

Click to predict properties on the Chemicalize site


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