79219 <common-name>Propanedioic acid, diethyl-, diethyl ester</common-name> <description>Propanedioic acid, diethyl-, diethyl ester belongs to the fatty acid esters, a subclass of fatty acyls within the organic compounds. It is classified under the superclass of lipids and lipid-like molecules. The compound has the formula C11H20O4 and an average molecular weight of 216.28 g/mol.</description> <cas>77-25-8</cas> <pubchem-id>66165</pubchem-id> <chemical-formula>C11H20O4</chemical-formula> <weight>216.27</weight> <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">2026-04-04T13:55:01Z</created-at> <updated-at type="dateTime">2026-08-18T13:13:13Z</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>CCOC(=O)C(CC)(CC)C(=O)OCC</moldb-smiles> <moldb-formula>C11H20O4</moldb-formula> <moldb-inchi>InChI=1S/C11H20O4/c1-5-11(6-2,9(12)14-7-3)10(13)15-8-4/h5-8H2,1-4H3</moldb-inchi> <moldb-inchikey>ZKBBUZRGPULIRN-UHFFFAOYSA-N</moldb-inchikey> <moldb-average-mass type="decimal">216.277</moldb-average-mass> <moldb-mono-mass type="decimal">216.136159</moldb-mono-mass> <origin nil="true"/> <state nil="true"/> <logp>2.5</logp> <hmdb-id nil="true"/> <chembl-id nil="true"/> <chemspider-id>21159400</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>CHEM075112</chemdb-id> <dsstox-id>DTXSID0058807</dsstox-id> <toxcast-id nil="true"/> <stoff-ident-origin nil="true"/> <stoff-ident-id nil="true"/> <susdat-id>NS00037899</susdat-id> <iupac>diethyl 2,2-diethylpropanedioate</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">14</paper-count> <sync-id>CED0032595</sync-id> <structure-inchikey>ZKBBUZRGPULIRN-UHFFFAOYSA-N</structure-inchikey> <structure-fingerprint>40000000200800000002000000010000000000400000000000000000000000003000000000000000000000000000000000000000000000000000000000000000000000000000000000000000020000000000100000000000000000000000000410000000000000010000000000000000000000000000000000000000000000040000000000000000000000000000000000000000000020000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000002000000000000000000000000000000000000000000000000400080000000000000000000000000000</structure-fingerprint> <structure-pattern-fingerprint>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</structure-pattern-fingerprint> <structure-pickle>ï¾­Þ������������������������€���`�������`�������(�������(�������(������� ������`�������`�������`�������`�������(�������(�������(�������`�������`�������������� ��(�������������� �� � �(� � � � ��B��������������</structure-pickle> <structure-indexed-at type="dateTime">2026-09-19T04:26:30Z</structure-indexed-at> </compound>