Chemical Properties of 3-Tigloyloxy-6-acetoxypropane (CAS 7688-74-6)

InChI

InChI=1S/C13H21NO3/c1-4-8(2)13(16)17-10-5-9-6-12(15)11(7-10)14(9)3/h4,9-12,15H,5-7H2,1-3H3/b8-4+

InChI Key

AABSYOQYJYBHOJ-XBXARRHUSA-N

Formula

C13H21NO3

SMILES

CC=C(C)C(=O)OC1CC2CC(O)C(C1)N2C

Molecular Weight¹

239.31

CAS

7688-74-6

• 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	-2.05		Crippen Calculated Property
logPoct/wat	1.092		Crippen Calculated Property
McVol	191.300	ml/mol	McGowan Calculated Property
Inp	[2274.00; 2274.00]
Inp	2274.00		NIST
Inp	2274.00		NIST

Similar Compounds

Find more compounds similar to 3-Tigloyloxy-6-acetoxypropane.

Sources

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

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