Chemical Properties of cis-8,11,14-Eicosatrienoic acid, picolinyl ester

InChI

InChI=1S/C26H39NO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-21-26(28)29-24-25-20-19-22-27-23-25/h6-7,9-10,12-13,19-20,22-23H,2-5,8,11,14-18,21,24H2,1H3/b7-6-,10-9-,13-12-

InChI Key

WZUMSGOOPUTINM-QNEBEIHSSA-N

Formula

C26H39NO2

SMILES

CCCCCC=CCC=CCC=CCCCCCCC(=O)OCc1cccnc1

Molecular Weight¹

397.59

• log₁₀WS : Log10 of Water solubility in mol/l.
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• I_np : Non-polar retention indices.
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
log10WS	-8.91		Crippen Calculated Property
logPoct/wat	7.494		Crippen Calculated Property
McVol	357.960	ml/mol	McGowan Calculated Property
Inp	[3022.50; 3022.50]
Inp	3022.50		NIST
Inp	3022.50		NIST

Similar Compounds

Find more compounds similar to cis-8,11,14-Eicosatrienoic acid, picolinyl ester.

Sources

• Crippen Method
• Crippen Method
• McGowan Method
• NIST Webbook

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