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: | 1127 | |
|---|---|---|
| Name: | 2,5-bis(tert-butylperoxy)-2,5-dimethylhexane | |
| Description: | IUPAC names and InChI codes were generated with InstantJChem Original name was: 2.5-dimethyl-2.5-bis(tert-butylperoxy)hexane | |
| Labels: | ||
| CAS: | 78-63-7 | |
| InChi Code: | InChI=1S/C16H34O4/c1-13(2,3)17-19-15(7,8)11-12-16(9,10)20-18-14(4,5)6/h11-12H2,1-10H3 |
Properties
M5.logHLn: Biotransformation half-lives in fish
| Value | Source or prediction |
|---|---|
| 0.770825461 |
experimental value |
| 0.3014 |
Tab2.Model_5: Metab. biotransf. fish (Training set) |
Links to External Resources
| Link | Resource description |
|---|---|
| DTXSID9025110 | US EPA CompTox Dashboard |