ChemSpider 2D Image | 1-Methyl 5-(2,2,4,4-tetramethyl-3-pentanyl) 2-(2-bromobenzyl)-4-methyl-2,3-pentadienedioate | C23H31BrO4

1-Methyl 5-(2,2,4,4-tetramethyl-3-pentanyl) 2-(2-bromobenzyl)-4-methyl-2,3-pentadienedioate

  • Molecular FormulaC23H31BrO4
  • Average mass451.394 Da
  • Monoisotopic mass450.140564 Da
  • ChemSpider ID65328321

More details:

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

1-Methyl 5-(2,2,4,4-tetramethyl-3-pentanyl) 2-(2-bromobenzyl)-4-methyl-2,3-pentadienedioate [ACD/IUPAC Name]
1-Methyl-5-(2,2,4,4-tetramethyl-3-pentanyl)-2-(2-brombenzyl)-4-methyl-2,3-pentadiendioat [German] [ACD/IUPAC Name]
2-(2-Bromobenzyl)-4-méthyl-2,3-pentadiènedioate de 1-méthyle et de 5-(2,2,4,4-tétraméthyl-3-pentanyle) [French] [ACD/IUPAC Name]
2,3-Pentadienedioic acid, 2-[(2-bromophenyl)methyl]-4-methyl-, 5-[1-(1,1-dimethylethyl)-2,2-dimethylpropyl] 1-methyl ester [ACD/Index Name]
1-Methyl 5-(2,2,4,4-tetramethylpentan-3-yl) (R)-4-methyl-2-(2-bromobenzyl)-2,3-pentadienedioate

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

Density: 1.2±0.1 g/cm3
Boiling Point: 510.8±49.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.3 mmHg at 25°C
Enthalpy of Vaporization: 78.2±3.0 kJ/mol
Flash Point: 262.7±29.8 °C
Index of Refraction: 1.515
Molar Refractivity: 116.2±0.3 cm3
#H bond acceptors: 4
#H bond donors: 0
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 1
ACD/LogP: 7.38
ACD/LogD (pH 5.5): 7.03
ACD/BCF (pH 5.5): 128504.74
ACD/KOC (pH 5.5): 157958.17
ACD/LogD (pH 7.4): 7.03
ACD/BCF (pH 7.4): 128504.74
ACD/KOC (pH 7.4): 157958.17
Polar Surface Area: 53 Å2
Polarizability: 46.0±0.5 10-24cm3
Surface Tension: 30.6±3.0 dyne/cm
Molar Volume: 385.3±3.0 cm3

Click to predict properties on the Chemicalize site


Advertisement