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:	1127
	Name:	2,5-bis(tert-butylperoxy)-2,5-dimethylhexane
	Description:	IUPAC names and InChI codes were generated with InstantJChem Original name was: 2.5-dimethyl-2.5-bis(tert-butylperoxy)hexane
	Labels:
	CAS:	78-63-7
	InChi Code:	InChI=1S/C16H34O4/c1-13(2,3)17-19-15(7,8)11-12-16(9,10)20-18-14(4,5)6/h11-12H2,1-10H3

Properties

M5.logHLn: Biotransformation half-lives in fish

Value	Source or prediction
0.770825461	experimental value
0.3014	Tab2.Model_5: Metab. biotransf. fish (Training set)

Links to External Resources

Link	Resource description
DTXSID9025110	US EPA CompTox Dashboard