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: | 1190 | |
|---|---|---|
| Name: | 2,4,4-trimethylpent-1-ene | |
| Description: | IUPAC names and InChI codes were generated with InstantJChem Original name was: 1-Pentene. 2.4.4-trimethyl- | |
| Labels: | ||
| CAS: | 107-39-1 | |
| InChi Code: | InChI=1S/C8H16/c1-7(2)6-8(3,4)5/h1,6H2,2-5H3 |
Properties
M5.logHLn: Biotransformation half-lives in fish
| Value | Source or prediction |
|---|---|
| 0.120825461 |
experimental value |
| -0.2152 |
Tab2.Model_5: Metab. biotransf. fish (Training set) |
Links to External Resources
| Link | Resource description |
|---|---|
| DTXSID4026765 | US EPA CompTox Dashboard |