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: | 1299 | |
|---|---|---|
| Name: | (6R)-2,6-dimethyloctane | |
| Description: | IUPAC names and InChI codes were generated with InstantJChem Original name was: 2.6-dimethyl octane | |
| Labels: | ||
| CAS: | 2051-30-1 | |
| InChi Code: | InChI=1S/C10H22/c1-5-10(4)8-6-7-9(2)3/h9-10H,5-8H2,1-4H3/t10-/m1/s1 |
Properties
M5.logHLn: Biotransformation half-lives in fish
| Value | Source or prediction |
|---|---|
| 0.610825461 |
experimental value |
| 0.3293 |
Tab2.Model_5: Metab. biotransf. fish (Training set) |