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:	1279
	Name:	(3R)-3,5,5-trimethylcyclohex-1-ene
	Description:	IUPAC names and InChI codes were generated with InstantJChem Original name was: 3.5.5 trimethyl cyclohexene
	Labels:
	CAS:	933-12-0
	InChi Code:	InChI=1S/C9H16/c1-8-5-4-6-9(2,3)7-8/h4-5,8H,6-7H2,1-3H3/t8-/m0/s1

Properties

M5.logHLn: Biotransformation half-lives in fish

Value	Source or prediction
0.720825461	experimental value
0.4848	Tab2.Model_5: Metab. biotransf. fish (Training set)