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: | 1452 | |
|---|---|---|
| Name: | (3R,5S)-1,1,3,5-tetramethylcyclohexane | |
| Description: | IUPAC names and InChI codes were generated with InstantJChem Original name was: Cis 1.1.3.5 tetramethyl cyclohexane | |
| Labels: | ||
| CAS: | 50876-32-9 | |
| InChi Code: | InChI=1S/C10H20/c1-8-5-9(2)7-10(3,4)6-8/h8-9H,5-7H2,1-4H3/t8-,9+ |
Properties
M5.logHLn: Biotransformation half-lives in fish
| Value | Source or prediction |
|---|---|
| 2.180825461 |
experimental value |
| 0.3223 |
Tab2.Model_5: Metab. biotransf. fish (Training set) |