ChemSpider 2D Image | 3-[(~2~H_5_)Phenyloxy]benzyl (1R,3S)-2,2-dimethyl-3-(2-methyl-1-propen-1-yl)cyclopropanecarboxylate | C23H21D5O3

3-[(2H5)Phenyloxy]benzyl (1R,3S)-2,2-dimethyl-3-(2-methyl-1-propen-1-yl)cyclopropanecarboxylate

  • Molecular FormulaC23H21D5O3
  • Average mass355.482 Da
  • Monoisotopic mass355.219574 Da
  • ChemSpider ID107444790

  • defined stereocentres - 2 of 2 defined stereocentres

    Non-standard isotope - Non-standard isotope

More details:

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

(1R,3S)-2,2-Diméthyl-3-(2-méthyl-1-propén-1-yl)cyclopropanecarboxylate de 3-[(2H5)phényloxy]benzyle [French] [ACD/IUPAC Name]
3-[(2H5)Phenyloxy]benzyl (1R,3S)-2,2-dimethyl-3-(2-methyl-1-propen-1-yl)cyclopropanecarboxylate [ACD/IUPAC Name]
3-[(2H5)Phenyloxy]benzyl-(1R,3S)-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)-, [3-(phenyl-d5-oxy)phenyl]methyl ester, (1R,3S)- [ACD/Index Name]

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

Density: 1.1±0.1 g/cm3
Boiling Point: 437.0±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.0 mmHg at 25°C
Enthalpy of Vaporization: 69.3±3.0 kJ/mol
Flash Point: 186.6±23.3 °C
Index of Refraction: 1.588
Molar Refractivity: 105.3±0.3 cm3
#H bond acceptors: 3
#H bond donors: 0
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 1
ACD/LogP: 7.47
ACD/LogD (pH 5.5): 6.69
ACD/BCF (pH 5.5): 71770.75
ACD/KOC (pH 5.5): 104104.02
ACD/LogD (pH 7.4): 6.69
ACD/BCF (pH 7.4): 71770.75
ACD/KOC (pH 7.4): 104104.02
Polar Surface Area: 36 Å2
Polarizability: 41.7±0.5 10-24cm3
Surface Tension: 44.7±3.0 dyne/cm
Molar Volume: 312.7±3.0 cm3

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