2-Methyl-5-Propan-2-Ylcyclohexa-1,3-Diene
Representations & DB's id
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| ChEBI: | CHEBI:50035 | |
|---|---|---|
| ChEMBL: | CHEMBL3188459 | |
| PubChem: | 7460 | |
| IUPAC: | 2-methyl-5-propan-2-ylcyclohexa-1,3-diene | |
| Standard InChI: | InChI=1S/C10H16/c1-8(2)10-6-4-9(3)5-7-10/h4-6,8,10H,7H2,1-3H3 | |
| Standard InChI Key: | OGLDWXZKYODSOB-UHFFFAOYSA-N | |
| SMILES: | CC1=CCC(C=C1)C(C)C | |
Molecular propeties
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| AlogP: | 3.16 | |
|---|---|---|
| Hydrogen bonds acceptors: | 0 | |
| Hydrogen bonds donors: | 0 | |
| Rotatable bonds: | 1 | |
| Number of rings: | 1 | |
| Molecular Weight: | 136.13 | |
| Topological polar surface area: | 0 | |
| Number of aromatic rings: | 0 | |
| Fsp3: | 0.6 | |
| Number of carbons: | 10 | |
Plant sources
In vitro data
| Activity Type | Activity Value | Target Name | UniProt ID | Ref. |
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