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:	1840
	Name:	(3S,6Z)-3,7,11-trimethyldodeca-1,6,10-trien-3-ol
	Description:	IUPAC names and InChI codes were generated with InstantJChem Original name was: 3-Hydroxy-3,7,11-trimethyl-1,6,10-dodecatriene
	Labels:
	CAS:	7212-44-4
	InChi Code:	InChI=1S/C15H26O/c1-6-15(5,16)12-8-11-14(4)10-7-9-13(2)3/h6,9,11,16H,1,7-8,10,12H2,2-5H3/b14-11-/t15-/m1/s1

Properties

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

Value	Source or prediction
5.19	experimental value
6.0815	Tab2.Model_1: P. promelas LC50 (Training set)