Chemical Properties of cis-13,16-Docasadienoic acid, picolinyl ester

InChI

InChI=1S/C28H45NO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-23-28(30)31-26-27-22-21-24-29-25-27/h6-7,9-10,21-22,24-25H,2-5,8,11-20,23,26H2,1H3/b7-6-,10-9-

InChI Key

TYHOZHCQWYUKMK-HZJYTTRNSA-N

Formula

C28H45NO2

SMILES

CCCCCC=CCC=CCCCCCCCCCCCC(=O)OCc1cccnc1

Molecular Weight¹

427.66

• 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	-9.90		Crippen Calculated Property
logPoct/wat	8.499		Crippen Calculated Property
McVol	390.440	ml/mol	McGowan Calculated Property
Inp	[3261.80; 3261.80]
Inp	3261.80		NIST
Inp	3261.80		NIST

Similar Compounds

Find more compounds similar to cis-13,16-Docasadienoic acid, picolinyl ester.

Sources

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

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