61G
Summary
| Name: | 2-methylbuta-1,3-diene |
| Formula: | C5 H8 |
| Formal charge: | 0 |
| Formula weight: | 68.117 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | 2-methylbuta-1,3-diene |
| OpenEye OEToolkits | 2.0.4 | 2-methylbuta-1,3-diene |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | C\C(=C)[C@H]=C |
| InChI | InChI | 1.03 | InChI=1S/C5H8/c1-4-5(2)3/h4H,1-2H2,3H3 |
| InChIKey | InChI | 1.03 | RRHGJUQNOFWUDK-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CC(=C)C=C |
| SMILES | CACTVS | 3.385 | CC(=C)C=C |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.4 | CC(=C)C=C |
| SMILES | OpenEye OEToolkits | 2.0.4 | CC(=C)C=C |
