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:	1210
	Name:	(3E)-2,2,4,6,6-pentamethylhept-3-ene
	Description:	IUPAC names and InChI codes were generated with InstantJChem Original name was: 2.2.4.6.6 pentamethyl-3-heptene
	Labels:
	CAS:	123-48-8
	InChi Code:	InChI=1S/C12H24/c1-10(8-11(2,3)4)9-12(5,6)7/h8H,9H2,1-7H3/b10-8+

Properties

M5.logHLn: Biotransformation half-lives in fish

Value	Source or prediction
0.700825461	experimental value
0.7748	Tab2.Model_5: Metab. biotransf. fish (Training set)