Base information
| Cat. No. | |
| CAS No. | 1320-98-5 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C6H14O |
| Molecular Weight | 102.175 |
| Exact Mass | 102.104 |
| XLogP3 | 1.4149 |
| Mr | 32.1178 |
| PSA | 20.23 |
| Sequence | - |
| Atom number | 21 |
| Bond number | 20 |
| Ring number | 0 |
| Rotor number | 3 |
| Residues number | 0 |
| Canonical smiles | OCCCC(C)C |
