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:	1219
	Name:	(3R)-2,2,4-trimethylpentane-1,3-diol
	Description:	IUPAC names and InChI codes were generated with InstantJChem Original name was: 1.3-Pentanediol. 2.2.4-trimethyl-
	Labels:
	CAS:	144-19-4
	InChi Code:	InChI=1S/C8H18O2/c1-6(2)7(10)8(3,4)5-9/h6-7,9-10H,5H2,1-4H3/t7-/m1/s1

Properties

M5.logHLn: Biotransformation half-lives in fish

Value	Source or prediction
-1.339174539	experimental value
-1.2188	Tab2.Model_5: Metab. biotransf. fish (Training set)