ChemSpider 2D Image | 3-Mesityl-2-oxo-1-oxaspiro[4.4]non-3-en-4-yl 3,3-bis[(~2~H_3_)methyl](4,4,4-~2~H_3_)butanoate | C23H21D9O4

3-Mesityl-2-oxo-1-oxaspiro[4.4]non-3-en-4-yl 3,3-bis[(2H3)methyl](4,4,4-2H3)butanoate

  • Molecular FormulaC23H21D9O4
  • Average mass379.537 Da
  • Monoisotopic mass379.270905 Da
  • ChemSpider ID77494355

  • Non-standard isotope - Non-standard isotope

More details:

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

3,3-Bis[(2H3)méthyl](4,4,4-2H3)butanoate de 3-mésityl-2-oxo-1-oxaspiro[4.4]non-3-én-4-yle [French] [ACD/IUPAC Name]
3-Mesityl-2-oxo-1-oxaspiro[4.4]non-3-en-4-yl 3,3-bis[(2H3)methyl](4,4,4-2H3)butanoate [ACD/IUPAC Name]
3-Mesityl-2-oxo-1-oxaspiro[4.4]non-3-en-4-yl-3,3-bis[(2H3)methyl](4,4,4-2H3)butanoat [German] [ACD/IUPAC Name]
Butanoic-4,4,4-d3 acid, 3,3-di(methyl-d3)-, 2-oxo-3-(2,4,6-trimethylphenyl)-1-oxaspiro[4.4]non-3-en-4-yl ester [ACD/Index Name]
2470126-90-8 [RN]
Spiromesifen-d9

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

Density: 1.1±0.1 g/cm3
Boiling Point: 531.1±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.4 mmHg at 25°C
Enthalpy of Vaporization: 80.7±3.0 kJ/mol
Flash Point: 266.7±28.5 °C
Index of Refraction: 1.549
Molar Refractivity: 104.5±0.4 cm3
#H bond acceptors: 4
#H bond donors: 0
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 1
ACD/LogP: 6.07
ACD/LogD (pH 5.5): 5.25
ACD/BCF (pH 5.5): 5760.87
ACD/KOC (pH 5.5): 17113.91
ACD/LogD (pH 7.4): 5.25
ACD/BCF (pH 7.4): 5760.87
ACD/KOC (pH 7.4): 17113.91
Polar Surface Area: 53 Å2
Polarizability: 41.4±0.5 10-24cm3
Surface Tension: 43.4±5.0 dyne/cm
Molar Volume: 328.9±5.0 cm3

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