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: | 1337 | |
|---|---|---|
| Name: | (3S)-3,5,5-trimethylhex-1-ene | |
| Description: | IUPAC names and InChI codes were generated with InstantJChem Original name was: 3.5.5' trimethyl hexene | |
| Labels: | ||
| CAS: | 4316-65-8 | |
| InChi Code: | InChI=1S/C9H18/c1-6-8(2)7-9(3,4)5/h6,8H,1,7H2,2-5H3/t8-/m1/s1 |
Properties
M5.logHLn: Biotransformation half-lives in fish
| Value | Source or prediction |
|---|---|
| 1.070825461 |
experimental value |
| 0.1439 |
Tab2.Model_5: Metab. biotransf. fish (Training set) |