Base information
| Cat. No. | |
| CAS No. | 111-67-1 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C8H16 |
| Molecular Weight | 112.213 |
| Exact Mass | 112.125 |
| XLogP3 | 3.1428 |
| Mr | 40.096 |
| PSA | 0 |
| Sequence | - |
| Atom number | 24 |
| Bond number | 23 |
| Ring number | 0 |
| Rotor number | 4 |
| Residues number | 0 |
| Canonical smiles | CCCCCC=CC |
