CHEBI:87404 - bicyclo[2.2.2]octane-2,6-dione

Main

ChEBI Ontology

Automatic Xrefs

Reactions

Pathways

Models

ChEBI Name bicyclo[2.2.2]octane-2,6-dione ChEBI ID CHEBI:87404 Definition An alicyclic ketone that is bicyclo[2.2.2]octane carrying two oxo groups located at positions 2 and 6. Stars This entity has been manually annotated by the ChEBI Team. Submitter Gemma Holliday Supplier Information Download Molfile XML SDF Find compounds which contain this structure Find compounds which resemble this structure Take structure to the Advanced Search Formula C8H10O2 Net Charge 0 Average Mass 138.16380 Monoisotopic Mass 138.06808 InChI InChI=1S/C8H10O2/c9-7-3-5-1-2-6(7)8(10)4-5/h5-6H,1-4H2 InChIKey VXBMHPUAHFEJAV-UHFFFAOYSA-N SMILES O=C1CC2CCC1C(=O)C2 ChEBI Ontology Outgoing bicyclo[2.2.2]octane-2,6-dione (CHEBI:87404) is a β-diketone (CHEBI:67265) bicyclo[2.2.2]octane-2,6-dione (CHEBI:87404) is a alicyclic ketone (CHEBI:36132) bicyclo[2.2.2]octane-2,6-dione (CHEBI:87404) is a bridged compound (CHEBI:35990) IUPAC Name bicyclo[2.2.2]octane-2,6-dione Registry Number Type Source 2247740 Reaxys Registry Number Reaxys Citation Type Source 17198383 PubMed citation SUBMITTER Last Modified 21 August 2015