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:	1709
	Name:	4,7,7-trimethyl-8-oxabicyclo[2.2.2]octane
	Description:	IUPAC names and InChI codes were generated with InstantJChem Original name was: Cineole
	Labels:
	CAS:	470-82-6
	InChi Code:	InChI=1/C10H18O/c1-9(2)8-4-6-10(3,11-9)7-5-8/h8H,4-7H2,1-3H3/t8-,10+

Properties

M1.pLC50: 96-h Fathead minnow toxicity as log(1/LC50) [-log(mol/L)]

Value	Source or prediction
3.18	experimental value
3.6628	Tab2.Model_1: P. promelas LC50 (Training set)