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:	1540
	Name:	(4,4-dimethylpentyl)benzene
	Description:	IUPAC names and InChI codes were generated with InstantJChem Original name was: 1.1.1 trimethyl butyl benzene
	Labels:
	CAS:
	InChi Code:	InChI=1S/C13H20/c1-13(2,3)11-7-10-12-8-5-4-6-9-12/h4-6,8-9H,7,10-11H2,1-3H3

Properties

M5.logHLn: Biotransformation half-lives in fish

Value	Source or prediction
0.010825461	experimental value
0.7498	Tab2.Model_5: Metab. biotransf. fish (Training set)