78046 <common-name>Diethyl isopropylidenemalonate</common-name> <description>Diethyl isopropylidenemalonate belongs to the fatty acid esters, a subclass of fatty acyls within the organic compounds. It has the chemical formula C10H16O4 and an average molecular weight of 200.23 g/mol. This compound is further classified under the superclass of lipids and lipid-like molecules.</description> <cas>6802-75-1</cas> <pubchem-id>81255</pubchem-id> <chemical-formula>C10H16O4</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">2026-04-04T11:26:50Z</created-at> <updated-at type="dateTime">2026-04-04T11:26:50Z</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>CCOC(=O)C(=C(C)C)C(=O)OCC</moldb-smiles> <moldb-formula>C10H16O4</moldb-formula> <moldb-inchi>InChI=1S/C10H16O4/c1-5-13-9(11)8(7(3)4)10(12)14-6-2/h5-6H2,1-4H3</moldb-inchi> <moldb-inchikey>WEISAZNMMVPNTH-UHFFFAOYSA-N</moldb-inchikey> <moldb-average-mass type="decimal">200.234</moldb-average-mass> <moldb-mono-mass type="decimal">200.104859</moldb-mono-mass> <origin nil="true"/> <state nil="true"/> <logp nil="true"/> <hmdb-id nil="true"/> <chembl-id nil="true"/> <chemspider-id>73311</chemspider-id> <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>CHEM073939</chemdb-id> <dsstox-id>DTXSID10218210</dsstox-id> <toxcast-id nil="true"/> <stoff-ident-origin nil="true"/> <stoff-ident-id nil="true"/> <susdat-id>NS00036353</susdat-id> <iupac>diethyl 2-propan-2-ylidenepropanedioate</iupac> <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>Lipids and lipid-like molecules</superklass> <klass>Fatty Acyls</klass> <subklass>Fatty acid esters</subklass> <paper-count type="integer">3</paper-count> <sync-id>CED0049463</sync-id> <structure-inchikey>WEISAZNMMVPNTH-UHFFFAOYSA-N</structure-inchikey> <structure-fingerprint>800000000080000010000000000000000000000000000000000002000000000000000000000000000000000000000000000000000000000000000000000000000000000000000020000000004101000000000000000000000000010000000000000000000000000000000000000000000000000000400000000040000000000000000000000000000000000000000000020000000000000000000000000000000000000000000000020000000000000000000000000000000000000000000040000000000000000000000000002000000000000000000000000000100000000000200000000400000000000000000000000000000000</structure-fingerprint> <structure-pattern-fingerprint>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</structure-pattern-fingerprint> <structure-pickle type="binary" encoding="base64">776t3gAAAAAQAAAAAwAAAAAAAAAOAAAADQAAAIABBgBgAAAAAQMGAGAAAAAC AggAKAAAAAMCBgAoAAAAAwQIACgAAAADAgYAKAAAAAMEBgAoAAAAAwQGAGAA AAABAwYAYAAAAAEDBgAoAAAAAwQIACgAAAADAggAKAAAAAMCBgBgAAAAAgIG AGAAAAABAwsAAQABAgACAyADBCgCAwUgBQYoAgYHAAYIAAUJIAkKKAIJCyAL DAAMDQBCAAAAABcEAAAAAAAAABY= </structure-pickle> <structure-indexed-at type="dateTime">2026-09-19T04:25:35Z</structure-indexed-at> </compound>