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: | 1241 | |
|---|---|---|
| Name: | 3-methyl-1-(3-methylbutoxy)butane | |
| Description: | IUPAC names and InChI codes were generated with InstantJChem Original name was: Diisopentyl ether | |
| Labels: | ||
| CAS: | 544-01-4 | |
| InChi Code: | InChI=1S/C10H22O/c1-9(2)5-7-11-8-6-10(3)4/h9-10H,5-8H2,1-4H3 |
Properties
M5.logHLn: Biotransformation half-lives in fish
| Value | Source or prediction |
|---|---|
| -0.449174539 |
experimental value |
| -0.0975 |
Tab2.Model_5: Metab. biotransf. fish (Training set) |
Links to External Resources
| Link | Resource description |
|---|---|
| DTXSID8052198 | US EPA CompTox Dashboard |