Chemical Properties of 2-Thiopheneacetic acid, 2,7-dimethyloct-7-en-5-yn-4-yl ester

InChI

InChI=1S/C16H20O2S/c1-12(2)7-8-14(10-13(3)4)18-16(17)11-15-6-5-9-19-15/h5-6,9,13-14H,1,10-11H2,2-4H3

InChI Key

UKBQFFHWLIDUGX-UHFFFAOYSA-N

Formula

C16H20O2S

SMILES

C=C(C)C#CC(CC(C)C)OC(=O)Cc1cccs1

Molecular Weight¹

276.39

• 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	-4.60		Crippen Calculated Property
logPoct/wat	3.828		Crippen Calculated Property
McVol	227.730	ml/mol	McGowan Calculated Property
Inp	[1807.00; 1807.00]
Inp	1807.00		NIST
Inp	1807.00		NIST

Similar Compounds

Find more compounds similar to 2-Thiopheneacetic acid, 2,7-dimethyloct-7-en-5-yn-4-yl ester.

Sources

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

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