2,6,6-Trimethylcyclohexa-1,3-Diene-1-Carbaldehyde
Representations & DB's id
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| ChEBI: | CHEBI:53169 | |
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| ChEMBL: | CHEMBL3183495 | |
| PubChem: | 61041 | |
| IUPAC: | 2,6,6-trimethylcyclohexa-1,3-diene-1-carbaldehyde | |
| Standard InChI: | InChI=1S/C10H14O/c1-8-5-4-6-10(2,3)9(8)7-11/h4-5,7H,6H2,1-3H3 | |
| Standard InChI Key: | SGAWOGXMMPSZPB-UHFFFAOYSA-N | |
| SMILES: | O=CC1=C(C)C=CCC1(C)C | |
Molecular propeties
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| AlogP: | 2.49 | |
|---|---|---|
| Hydrogen bonds acceptors: | 1 | |
| Hydrogen bonds donors: | 0 | |
| Rotatable bonds: | 1 | |
| Number of rings: | 1 | |
| Molecular Weight: | 150.1 | |
| Topological polar surface area: | 17.1 | |
| Number of aromatic rings: | 0 | |
| Fsp3: | 0.5 | |
| Number of carbons: | 10 | |
Plant sources
In vitro data
| Activity Type | Activity Value | Target Name | UniProt ID | Ref. |
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