Gramatica, P.; Cassani, S.; Chirico, N. QSARINS-chem: Insubria datasets and new QSAR/QSPR models for environmental pollutants in QSARINS. J. Comput. Chem. 2014, 35, 1036–1044.

Compound

	ID:	1529
	Name:	2-(2-{2-[(9-methyldecyl)oxy]ethoxy}ethoxy)ethan-1-ol
	Description:	IUPAC names and InChI codes were generated with InstantJChem Original name was: Isoundecanol ethoxylate (11-3EO)
	Labels:
	CAS:	169107-21-5
	InChi Code:	InChI=1S/C17H36O4/c1-17(2)9-7-5-3-4-6-8-11-19-13-15-21-16-14-20-12-10-18/h17-18H,3-16H2,1-2H3

Properties

M5.logHLn: Biotransformation half-lives in fish

Value	Source or prediction
0.450825461	experimental value
-0.4596	Tab2.Model_5: Metab. biotransf. fish (Training set)