| 2D Structure | |
| CID | 84532 |
| Target | |
| IUPAC Name | (1S,2S,5R)-2,6,6-trimethylbicyclo[3.1.1]heptan-3-one |
| InChI | InChI=1S/C10H16O/c1-6-8-4-7(5-9(6)11)10(8,2)3/h6-8H,4-5H2,1-3H3/t6-,7+,8-/m0/s1 |
| InChI Key | MQPHVIPKLRXGDJ-RNJXMRFFSA-N |
| Canonical SMILES | CC1C2CC(C2(C)C)CC1=O |
| Isomeric SMILES | C[C@H]1[C@@H]2C[C@@H](C2(C)C)CC1=O |
| Molecular Formula | C10H16O |
| Molecular Weight | 152.23 |
| synonyms | ['Isopinocamphone', 'cis-3-pinanone', 'Isocamphopinone', '(1S,2S,5R)-2,6,6-TRIMETHYLBICYCLO[3.1.1]HEPTAN-3-ONE', 'Q366628FXX', 'EINECS 239-394-6', 'EINECS 250-212-4', 'ISOPINOCAMPHONE [FHFI]', 'FEMA NO. 4198', 'Bicyclo(3.1.1)heptan-3-one, 2,6,6-trimethyl-, (1R,2R,5S)-rel-', 'Bicyclo[3.1.1]heptan-3-one, 2,6,6-trimethyl-, (1R,2R,5S)-rel-', '(1)-(1alpha,2beta,5alpha)-2,6,6-Trimethylbicyclo(3.1.1)heptan-3-one', 'Bicyclo(3.1.1)heptan-3-one, 2,6,6-trimethyl-, (1alpha,2beta,5alpha)-', 'BICYCLO(3.1.1)HEPTAN-3-ONE, 2,6,6-TRIMETHYL-, (1.ALPHA.,2.BETA.,5.ALPHA.)-', '(1S,2S,5R)-2,6,6-Trimethylbicyclo(3.1.1)heptan-3-one', 'Bicyclo[3.1.1]heptan-3-one, 2,6,6-trimethyl-, (1alpha,2beta,5alpha)-', '14575-93-0', '(-)-Isopinocamphone', '[1S-(1alpha,2beta,5alpha)]-2,6,6-trimethylbicyclo[3.1.1]heptan-3-one', '(1S-(1alpha,2beta,5alpha))-2,6,6-Trimethylbicyclo(3.1.1)heptan-3-one', 'Isopinocamphon', 'S-pinocamphone', 'UNII-Q366628FXX', 'EINECS 238-619-5', 'CIS-PINOCAMPHONE', '(+/-)-ISOPINOCAMPHONE', 'SCHEMBL15210011', 'DTXSID30881208', 'CHEBI:171987', 'MQPHVIPKLRXGDJ-RNJXMRFFSA-N', 'CIS-(+/-)-3-PINANONE', 'NS00043385', 'EN300-20155131', 'Q27286945'] |
From Pubchem