2-(4-nitrophenyl)-4-(pentan-3-yl)hexahydro-2H,4H-1,3-benzodioxine
Chemical Structure Depiction of
2-(4-nitrophenyl)-4-(pentan-3-yl)hexahydro-2H,4H-1,3-benzodioxine
2-(4-nitrophenyl)-4-(pentan-3-yl)hexahydro-2H,4H-1,3-benzodioxine
Compound characteristics
| Compound ID: | 8011-0883 |
| Compound Name: | 2-(4-nitrophenyl)-4-(pentan-3-yl)hexahydro-2H,4H-1,3-benzodioxine |
| Molecular Weight: | 333.43 |
| Molecular Formula: | C19 H27 N O4 |
| Smiles: | CCC(CC)C1C2CCCCC2OC(c2ccc(cc2)[N+]([O-])=O)O1 |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 5.4309 |
| logD: | 5.4309 |
| logSw: | -5.4157 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 49.209 |
| InChI Key: | JZAOGXMHBXOVBR-UHFFFAOYSA-N |