40S
Summary
| Name: | 3-methylpentane-1,5-diol |
| Formula: | C6 H14 O2 |
| Formal charge: | 0 |
| Formula weight: | 118.174 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | 3-methylpentane-1,5-diol |
| OpenEye OEToolkits | 1.7.6 | 3-methylpentane-1,5-diol |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | OCCC(C)CCO |
| InChI | InChI | 1.03 | InChI=1S/C6H14O2/c1-6(2-4-7)3-5-8/h6-8H,2-5H2,1H3 |
| InChIKey | InChI | 1.03 | SXFJDZNJHVPHPH-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CC(CCO)CCO |
| SMILES | CACTVS | 3.385 | CC(CCO)CCO |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.6 | CC(CCO)CCO |
| SMILES | OpenEye OEToolkits | 1.7.6 | CC(CCO)CCO |
