92555 <common-name>ß,6-Dimethyl-7-oxabicyclo[4.1.0]heptane-3-ethyl acetate</common-name> <description>ß,6-Dimethyl-7-oxabicyclo[4.1.0]heptane-3-ethyl acetate belongs to the oxepanes, a class of organoheterocyclic compounds within the organic compounds. This compound has the chemical formula C12H20O3 and an average molecular weight of 212.29 g/mol.</description> <cas>58336-07-5</cas> <pubchem-id>94021</pubchem-id> <chemical-formula>C12H20O3</chemical-formula> <weight nil="true"/> <appearance nil="true"/> <melting-point nil="true"/> <boiling-point nil="true"/> <density nil="true"/> <solubility nil="true"/> <specific-gravity nil="true"/> <flash-point nil="true"/> <vapour-pressure nil="true"/> <route-of-exposure nil="true"/> <target nil="true"/> <mechanism-of-toxicity nil="true"/> <metabolism nil="true"/> <toxicity nil="true"/> <lethaldose nil="true"/> <carcinogenicity nil="true"/> <use-source nil="true"/> <min-risk-level nil="true"/> <health-effects nil="true"/> <symptoms nil="true"/> <treatment nil="true"/> <created-at type="dateTime">2026-04-05T01:39:13Z</created-at> <updated-at type="dateTime">2026-04-05T01:39:13Z</updated-at> <interacting-proteins nil="true"/> <wikipedia nil="true"/> <uniprot-id nil="true"/> <kegg-compound-id nil="true"/> <omim-id nil="true"/> <chebi-id nil="true"/> <biocyc-id nil="true"/> <ctd-id nil="true"/> <stitch-id nil="true"/> <drugbank-id nil="true"/> <pdb-id nil="true"/> <actor-id nil="true"/> <organism nil="true"/> <export type="boolean">true</export> <metabolizing-proteins nil="true"/> <transporting-proteins nil="true"/> <moldb-smiles>CC(COC(C)=O)C1CCC2(C)OC2C1</moldb-smiles> <moldb-formula>C12H20O3</moldb-formula> <moldb-inchi>InChI=1/C12H20O3/c1-8(7-14-9(2)13)10-4-5-12(3)11(6-10)15-12/h8,10-11H,4-7H2,1-3H3</moldb-inchi> <moldb-inchikey>LWMUTALNLTUMKC-UHFFFAOYSA-N</moldb-inchikey> <moldb-average-mass type="decimal">212.289</moldb-average-mass> <moldb-mono-mass type="decimal">212.1412445</moldb-mono-mass> <origin nil="true"/> <state nil="true"/> <logp nil="true"/> <hmdb-id nil="true"/> <chembl-id nil="true"/> <chemspider-id nil="true"/> <structure-image-file-name nil="true"/> <structure-image-content-type nil="true"/> <structure-image-file-size type="integer" nil="true"/> <structure-image-updated-at type="dateTime" nil="true"/> <biodb-id nil="true"/> <synthesis-reference nil="true"/> <structure-image-caption nil="true"/> <chemdb-id>CHEM088448</chemdb-id> <dsstox-id>DTXSID00973902</dsstox-id> <toxcast-id nil="true"/> <stoff-ident-origin nil="true"/> <stoff-ident-id nil="true"/> <susdat-id>NS00053995</susdat-id> <iupac nil="true"/> <moldb-polar-surface-area nil="true"/> <moldb-refractivity nil="true"/> <moldb-polarizability nil="true"/> <moldb-rotatable-bond-count nil="true"/> <moldb-acceptor-count nil="true"/> <moldb-donor-count nil="true"/> <moldb-pka-strongest-acidic nil="true"/> <moldb-pka-strongest-basic nil="true"/> <moldb-physiological-charge nil="true"/> <moldb-number-of-rings nil="true"/> <moldb-alogps-logp nil="true"/> <moldb-alogps-logs nil="true"/> <moldb-alogps-solubility nil="true"/> <kingdom>Organic compounds</kingdom> <superklass>Organoheterocyclic compounds</superklass> <klass>Oxepanes</klass> <subklass nil="true"/> <paper-count type="integer">0</paper-count> <sync-id>CED0137154</sync-id> <structure-inchikey>LWMUTALNLTUMKC-UHFFFAOYSA-N</structure-inchikey> <structure-fingerprint>40000000010000000000880000000200100010000000800000000000000000000002001000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000020800000000100200000000000000400000000010000000002000000000000000000020000000000000000000000500010000048020000000000000000000000200000000000000000000000000020000800000004000000000000000000000000000000000000000000000080000000000000000000000020000000000000000000040000200000000000000000000000000000000000000000000000400400000000000000200000000000000008</structure-fingerprint> <structure-pattern-fingerprint>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</structure-pattern-fingerprint> <structure-pickle type="binary" encoding="base64">776t3gAAAAAQAAAAAwAAAAAAAAAPAAAAEAAAAIABBgBgAAAAAQMGAGAAAAAD AQYAYAAAAAICCAAoAAAAAwIGACgAAAADBAYAYAAAAAEDCAAoAAAAAwIGAGAA AAADAQYAYAAAAAICBgBgAAAAAgIGACAAAAAEBgBgAAAAAQMIACAAAAACBgBg AAAAAwEGAGAAAAACAgsAAQABAgACAwADBCAEBQAEBigCAQcABwgACAkACQoA CgsACgwADA0ADQ4ADgcADQoAQgIAAAAGBw4NCgkIAwwKDRcEAAAAAAAAABY= </structure-pickle> <structure-indexed-at type="dateTime">2026-09-19T04:34:37Z</structure-indexed-at> </compound>