ChemSpider 2D Image | Methothrin | C19H26O3

Methothrin

  • Molecular FormulaC19H26O3
  • Average mass302.408 Da
  • Monoisotopic mass302.188202 Da
  • ChemSpider ID23498825

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

(3R)-2,2-Diméthyl-3-(2-méthyl-1-propén-1-yl)cyclopropanecarboxylate de 4-(méthoxyméthyl)benzyle [French] [ACD/IUPAC Name]
4-(Methoxymethyl)benzyl (3R)-2,2-dimethyl-3-(2-methyl-1-propen-1-yl)cyclopropanecarboxylate [ACD/IUPAC Name]
4-(Methoxymethyl)benzyl (3R)-2,2-dimethyl-3-(2-methylprop-1-en-1-yl)cyclopropanecarboxylate
4-(Methoxymethyl)benzyl-(3R)-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)-, [4-(methoxymethyl)phenyl]methyl ester, (1R,3R)-
Cyclopropanecarboxylic acid, 2,2-dimethyl-3-(2-methyl-1-propen-1-yl)-, [4-(methoxymethyl)phenyl]methyl ester, (3R)- [ACD/Index Name]
Methothrin
34388-29-9 [RN]
MFCD01735827 [MDL number]

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

Density: 1.1±0.1 g/cm3
Boiling Point: 369.6±42.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.8 mmHg at 25°C
Enthalpy of Vaporization: 61.6±3.0 kJ/mol
Flash Point: 154.8±22.5 °C
Index of Refraction: 1.554
Molar Refractivity: 90.1±0.3 cm3
#H bond acceptors: 3
#H bond donors: 0
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 1
ACD/LogP: 5.22
ACD/LogD (pH 5.5): 5.55
ACD/BCF (pH 5.5): 9803.41
ACD/KOC (pH 5.5): 25039.02
ACD/LogD (pH 7.4): 5.55
ACD/BCF (pH 7.4): 9803.41
ACD/KOC (pH 7.4): 25039.02
Polar Surface Area: 36 Å2
Polarizability: 35.7±0.5 10-24cm3
Surface Tension: 41.8±3.0 dyne/cm
Molar Volume: 281.3±3.0 cm3

Click to predict properties on the Chemicalize site


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