Chemical Properties of cis, cis, cis-9, 12, 15-Octadecatrienoic acid, picolinyl ester

InChI

InChI=1S/C24H35NO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-19-24(26)27-22-23-18-17-20-25-21-23/h3-4,6-7,9-10,17-18,20-21H,2,5,8,11-16,19,22H2,1H3/b4-3-,7-6-,10-9-

InChI Key

VMDODSILOLPSBY-PDBXOOCHSA-N

Formula

C24H35NO2

SMILES

CCC=CCC=CCC=CCCCCCCCC(=O)OCc1cccnc1

Molecular Weight¹

369.54

• 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	-8.07		Crippen Calculated Property
logPoct/wat	6.714		Crippen Calculated Property
McVol	329.780	ml/mol	McGowan Calculated Property
Inp	[2871.20; 2871.20]
Inp	2871.20		NIST
Inp	2871.20		NIST

Similar Compounds

Find more compounds similar to cis, cis, cis-9, 12, 15-Octadecatrienoic acid, picolinyl ester.

Sources

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

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