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: | 1527 | |
|---|---|---|
| Name: | (3E)-2,4,6-trimethylhept-3-ene | |
| Description: | IUPAC names and InChI codes were generated with InstantJChem Original name was: 2.4.6 trimethyl-3-heptene | |
| Labels: | ||
| CAS: | 126690-66-2 | |
| InChi Code: | InChI=1S/C10H20/c1-8(2)6-10(5)7-9(3)4/h6,8-9H,7H2,1-5H3/b10-6+ |
Properties
M5.logHLn: Biotransformation half-lives in fish
| Value | Source or prediction |
|---|---|
| 0.920825461 |
experimental value |
| 0.4899 |
Tab2.Model_5: Metab. biotransf. fish (Training set) |