ChemSpider 2D Image | (2S)-5-Hydroxy-2-methyl-2-(4-methyl-3-penten-1-yl)-7-pentyl-2H-chromene-6-carboxylic acid | C22H30O4

(2S)-5-Hydroxy-2-methyl-2-(4-methyl-3-penten-1-yl)-7-pentyl-2H-chromene-6-carboxylic acid

  • Molecular FormulaC22H30O4
  • Average mass358.471 Da
  • Monoisotopic mass358.214417 Da
  • ChemSpider ID58836723

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

(2S)-5-Hydroxy-2-methyl-2-(4-methyl-3-penten-1-yl)-7-pentyl-2H-chromen-6-carbonsäure [German] [ACD/IUPAC Name]
(2S)-5-Hydroxy-2-methyl-2-(4-methyl-3-penten-1-yl)-7-pentyl-2H-chromene-6-carboxylic acid [ACD/IUPAC Name]
2H-1-Benzopyran-6-carboxylic acid, 5-hydroxy-2-methyl-2-(4-methyl-3-penten-1-yl)-7-pentyl-, (2S)- [ACD/Index Name]
Acide (2S)-5-hydroxy-2-méthyl-2-(4-méthyl-3-pentén-1-yl)-7-pentyl-2H-chromène-6-carboxylique [French] [ACD/IUPAC Name]
20408-52-0 [RN]
5-Hydroxy-2-methyl-2-(4-methylpent-3-enyl)-7-pentylchromene-6-carboxylic acid

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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