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:	1356
	Name:	(2E,4S,6R)-4,6,8-trimethylnon-2-ene
	Description:	IUPAC names and InChI codes were generated with InstantJChem Original name was: 1-Propene. tetramer
	Labels:
	CAS:	6842-15-5
	InChi Code:	InChI=1S/C12H24/c1-6-7-11(4)9-12(5)8-10(2)3/h6-7,10-12H,8-9H2,1-5H3/b7-6+/t11-,12-/m1/s1

Properties

M5.logHLn: Biotransformation half-lives in fish

Value	Source or prediction
0.510825461	experimental value
0.937	Tab2.Model_5: Metab. biotransf. fish (Training set)