2,6,6-trimethyl-1-pentyl-3-(2,2,2-trichloroethyl)-1,5,6,7-tetrahydro-4H-indol-4-one
Chemical Structure Depiction of
2,6,6-trimethyl-1-pentyl-3-(2,2,2-trichloroethyl)-1,5,6,7-tetrahydro-4H-indol-4-one
2,6,6-trimethyl-1-pentyl-3-(2,2,2-trichloroethyl)-1,5,6,7-tetrahydro-4H-indol-4-one
Compound characteristics
| Compound ID: | 8012-0480 |
| Compound Name: | 2,6,6-trimethyl-1-pentyl-3-(2,2,2-trichloroethyl)-1,5,6,7-tetrahydro-4H-indol-4-one |
| Molecular Weight: | 378.77 |
| Molecular Formula: | C18 H26 Cl3 N O |
| Smiles: | CCCCCn1c(C)c(CC([Cl])([Cl])[Cl])c2C(CC(C)(C)Cc12)=O |
| Stereo: | ACHIRAL |
| logP: | 5.9664 |
| logD: | 5.9664 |
| logSw: | -6.1642 |
| Hydrogen bond acceptors count: | 2 |
| Polar surface area: | 15.3391 |
| InChI Key: | PSPFQTQYOUMMAT-UHFFFAOYSA-N |