Chemical Properties of Pipecolylpipecolic acid, N-propargyloxycarbonyl-, hexyl ester

InChI

InChI=1S/C22H34N2O5/c1-3-5-6-11-17-28-21(26)19-13-8-9-14-23(19)20(25)18-12-7-10-15-24(18)22(27)29-16-4-2/h2,18-19H,3,5-17H2,1H3

InChI Key

VCTWFEJBNNEBJA-UHFFFAOYSA-N

Formula

C22H34N2O5

SMILES

C#CCOC(=O)N1CCCCC1C(=O)N1CCCCC1C(=O)OCCCCCC

Molecular Weight¹

406.52

• 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
logPoct/wat	3.115		Crippen Calculated Property
McVol	326.930	ml/mol	McGowan Calculated Property
Inp	[2857.00; 2857.00]
Inp	2857.00		NIST
Inp	2857.00		NIST

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Similar Compounds

Find more compounds similar to Pipecolylpipecolic acid, N-propargyloxycarbonyl-, hexyl ester.

Sources

• Cheméo Relay (1.0)
• Cheméo Relay (1.0, beta) Beta: served but experimental, data-limited and below our cross-validation release bar; the Joback value is recommended where available.
• Crippen Method
• Crippen Method
• McGowan Method
• NIST Webbook

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