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Search term: RELBRSKOGVTUQH-UHFFFAOYSA-N (Found by InChIKey (full match))
ChemSpider 2D Image | 5-(2-Hexyl-6-methoxy-1H-indol-1-yl)-3-methyl-5-oxopentanoic acid | C21H29NO4

5-(2-Hexyl-6-methoxy-1H-indol-1-yl)-3-methyl-5-oxopentanoic acid

  • Molecular FormulaC21H29NO4
  • Average mass359.459 Da
  • Monoisotopic mass359.209656 Da
  • ChemSpider ID31141587

More details:

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

1H-Indole-1-pentanoic acid, 2-hexyl-6-methoxy-β-methyl-δ-oxo- [ACD/Index Name]
5-(2-Hexyl-6-methoxy-1H-indol-1-yl)-3-methyl-5-oxopentanoic acid [ACD/IUPAC Name]
5-(2-Hexyl-6-methoxy-1H-indol-1-yl)-3-methyl-5-oxopentansäure [German] [ACD/IUPAC Name]
Acide 5-(2-hexyl-6-méthoxy-1H-indol-1-yl)-3-méthyl-5-oxopentanoïque [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: 526.4±40.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.5 mmHg at 25°C
Enthalpy of Vaporization: 84.3±3.0 kJ/mol
Flash Point: 272.2±27.3 °C
Index of Refraction: 1.547
Molar Refractivity: 101.6±0.5 cm3
#H bond acceptors: 5
#H bond donors: 1
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 1
ACD/LogP: 5.59
ACD/LogD (pH 5.5): 4.24
ACD/BCF (pH 5.5): 585.15
ACD/KOC (pH 5.5): 1798.28
ACD/LogD (pH 7.4): 2.44
ACD/BCF (pH 7.4): 9.20
ACD/KOC (pH 7.4): 28.27
Polar Surface Area: 69 Å2
Polarizability: 40.3±0.5 10-24cm3
Surface Tension: 39.7±7.0 dyne/cm
Molar Volume: 320.1±7.0 cm3

Click to predict properties on the Chemicalize site


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