2-Methylbuta-1,3-Diene
Representations & DB's id
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| ChEBI: | CHEBI:35194 | |
|---|---|---|
| ChEMBL: | CHEMBL1566132 | |
| PubChem: | 6557 | |
| IUPAC: | 2-methylbuta-1,3-diene | |
| Standard InChI: | InChI=1S/C5H8/c1-4-5(2)3/h4H,1-2H2,3H3 | |
| Standard InChI Key: | RRHGJUQNOFWUDK-UHFFFAOYSA-N | |
| SMILES: | C=CC(=C)C | |
Molecular propeties
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| AlogP: | 1.75 | |
|---|---|---|
| Hydrogen bonds acceptors: | 0 | |
| Hydrogen bonds donors: | 0 | |
| Rotatable bonds: | 1 | |
| Number of rings: | 0 | |
| Molecular Weight: | 68.06 | |
| Topological polar surface area: | 0 | |
| Number of aromatic rings: | 0 | |
| Fsp3: | 0.2 | |
| Number of carbons: | 5 | |