ChemSpider 2D Image | trans-Resmethrin | C22H26O3

trans-Resmethrin

  • Molecular FormulaC22H26O3
  • Average mass338.440 Da
  • Monoisotopic mass338.188202 Da
  • ChemSpider ID24652971

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

(1S,3S)-2,2-Diméthyl-3-(2-méthyl-1-propén-1-yl)cyclopropanecarboxylate de (5-benzyl-3-furyl)méthyle [French] [ACD/IUPAC Name]
(5-Benzyl-3-furyl)methyl (1S,3S)-2,2-dimethyl-3-(2-methyl-1-propen-1-yl)cyclopropanecarboxylate [ACD/IUPAC Name]
(5-Benzyl-3-furyl)methyl-(1S,3S)-2,2-dimethyl-3-(2-methyl-1-propen-1-yl)cyclopropancarboxylat [German] [ACD/IUPAC Name]
10453-55-1 [RN]
Cyclopropanecarboxylic acid, 2,2-dimethyl-3-(2-methyl-1-propen-1-yl)-, [5-(phenylmethyl)-3-furanyl]methyl ester, (1S,3S)- [ACD/Index Name]
trans-Resmethrin
(1R,3R)-2,2-dimethyl-3-(2-methylprop-1-enyl)-1-cyclopropanecarboxylic acid [5-(phenylmethyl)-3-furyl]methyl ester
(1R,3R)-2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropane-1-carboxylic acid [5-(benzyl)-3-furyl]methyl ester
(5-benzylfuran-3-yl)methyl (1R,3R)-2,2-dimethyl-3-(2-methylprop-1-en-1-yl)cyclopropanecarboxylate
[5-(phenylmethyl)-3-furyl]methyl (1R,3R)-2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropane-1-carboxylate
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Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.1±0.1 g/cm3
Boiling Point: 415.6±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.0 mmHg at 25°C
Enthalpy of Vaporization: 66.9±3.0 kJ/mol
Flash Point: 205.2±28.7 °C
Index of Refraction: 1.574
Molar Refractivity: 100.4±0.3 cm3
#H bond acceptors: 3
#H bond donors: 0
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 1
ACD/LogP: 6.63
ACD/LogD (pH 5.5): 6.47
ACD/BCF (pH 5.5): 48914.47
ACD/KOC (pH 5.5): 79119.14
ACD/LogD (pH 7.4): 6.47
ACD/BCF (pH 7.4): 48914.47
ACD/KOC (pH 7.4): 79119.14
Polar Surface Area: 39 Å2
Polarizability: 39.8±0.5 10-24cm3
Surface Tension: 44.0±3.0 dyne/cm
Molar Volume: 304.4±3.0 cm3

Click to predict properties on the Chemicalize site


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