4,7,7-Trimethylbicyclo[2.2.1]Heptan-3-One
Representations & DB's id
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| ChEBI: | CHEBI:36773 | |
|---|---|---|
| ChEMBL: | CHEMBL15768 | |
| PubChem: | 2537 | |
| IUPAC: | 4,7,7-trimethylbicyclo[2.2.1]heptan-3-one | |
| Standard InChI: | InChI=1S/C10H16O/c1-9(2)7-4-5-10(9,3)8(11)6-7/h7H,4-6H2,1-3H3 | |
| Standard InChI Key: | DSSYKIVIOFKYAU-UHFFFAOYSA-N | |
| SMILES: | O=C1CC2C(C1(C)CC2)(C)C | |
Molecular propeties
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| AlogP: | 2.4 | |
|---|---|---|
| Hydrogen bonds acceptors: | 1 | |
| Hydrogen bonds donors: | 0 | |
| Rotatable bonds: | 0 | |
| Number of rings: | 2 | |
| Molecular Weight: | 152.12 | |
| Topological polar surface area: | 17.1 | |
| Number of aromatic rings: | 0 | |
| Fsp3: | 0.9 | |
| Number of carbons: | 10 | |