ChemSpider 2D Image | 5-Hydroxy-2-methyl-2-(4-methyl-3-penten-1-yl)-7-[(2,2,3,3,4,4,5,5,5-~2~H_9_)pentyl]-2H-chromene-6-carboxylic acid | C22H21D9O4

5-Hydroxy-2-methyl-2-(4-methyl-3-penten-1-yl)-7-[(2,2,3,3,4,4,5,5,5-2H9)pentyl]-2H-chromene-6-carboxylic acid

  • Molecular FormulaC22H21D9O4
  • Average mass367.527 Da
  • Monoisotopic mass367.270905 Da
  • ChemSpider ID77494440

  • Non-standard isotope - Non-standard isotope

More details:

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

2H-1-Benzopyran-6-carboxylic acid, 5-hydroxy-2-methyl-2-(4-methyl-3-penten-1-yl)-7-(pentyl-2,2,3,3,4,4,5,5,5-d9)- [ACD/Index Name]
5-Hydroxy-2-methyl-2-(4-methyl-3-penten-1-yl)-7-[(2,2,3,3,4,4,5,5,5-2H9)pentyl]-2H-chromen-6-carbonsäure [German] [ACD/IUPAC Name]
5-Hydroxy-2-methyl-2-(4-methyl-3-penten-1-yl)-7-[(2,2,3,3,4,4,5,5,5-2H9)pentyl]-2H-chromene-6-carboxylic acid [ACD/IUPAC Name]
Acide 5-hydroxy-2-méthyl-2-(4-méthyl-3-pentén-1-yl)-7-[(2,2,3,3,4,4,5,5,5-2H9)pentyl]-2H-chromène-6-carboxylique [French] [ACD/IUPAC 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: 480.8±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.3 mmHg at 25°C
Enthalpy of Vaporization: 78.5±3.0 kJ/mol
Flash Point: 159.5±22.2 °C
Index of Refraction: 1.546
Molar Refractivity: 104.3±0.3 cm3
#H bond acceptors: 4
#H bond donors: 2
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 1
ACD/LogP: 9.29
ACD/LogD (pH 5.5): 5.28
ACD/BCF (pH 5.5): 1265.18
ACD/KOC (pH 5.5): 907.84
ACD/LogD (pH 7.4): 4.96
ACD/BCF (pH 7.4): 612.85
ACD/KOC (pH 7.4): 439.75
Polar Surface Area: 67 Å2
Polarizability: 41.3±0.5 10-24cm3
Surface Tension: 45.0±3.0 dyne/cm
Molar Volume: 329.3±3.0 cm3

Click to predict properties on the Chemicalize site


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