9JE
Summary
| Name: | pentane-1,5-diol |
| Formula: | C5 H12 O2 |
| Formal charge: | 0 |
| Formula weight: | 104.148 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.6 | pentane-1,5-diol |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C5H12O2/c6-4-2-1-3-5-7/h6-7H,1-5H2 |
| InChIKey | InChI | 1.03 | ALQSHHUCVQOPAS-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | OCCCCCO |
| SMILES | CACTVS | 3.385 | OCCCCCO |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | C(CCO)CCO |
| SMILES | OpenEye OEToolkits | 2.0.6 | C(CCO)CCO |
