67850 <common-name>Diethyl ethylisopentylmalonate</common-name> <description>Diethyl ethylisopentylmalonate belongs to the fatty acid esters, a subclass of fatty acyls within the organic compounds. It is categorized under the superclass of lipids and lipid-like molecules. The compound has the formula C14H26O4 and an average molecular weight of 258.36 g/mol.</description> <cas>77-24-7</cas> <pubchem-id>66164</pubchem-id> <chemical-formula>C14H26O4</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">2026-04-03T10:44:43Z</created-at> <updated-at type="dateTime">2026-04-03T10:44:43Z</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)(CCC(C)C)C(=O)OCC</moldb-smiles> <moldb-formula>C14H26O4</moldb-formula> <moldb-inchi>InChI=1S/C14H26O4/c1-6-14(10-9-11(4)5,12(15)17-7-2)13(16)18-8-3/h11H,6-10H2,1-5H3</moldb-inchi> <moldb-inchikey>BSPKCYBRFKQSDQ-UHFFFAOYSA-N</moldb-inchikey> <moldb-average-mass type="decimal">258.358</moldb-average-mass> <moldb-mono-mass type="decimal">258.183109</moldb-mono-mass> <origin nil="true"/> <state nil="true"/> <logp nil="true"/> <hmdb-id nil="true"/> <chembl-id nil="true"/> <chemspider-id>59551</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>CHEM063743</chemdb-id> <dsstox-id>DTXSID10227807</dsstox-id> <toxcast-id nil="true"/> <stoff-ident-origin nil="true"/> <stoff-ident-id nil="true"/> <susdat-id>NS00022774</susdat-id> <iupac>diethyl 2-ethyl-2-(3-methylbutyl)propanedioate</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">101662</paper-count> <sync-id>CED0000984</sync-id> <structure-inchikey>BSPKCYBRFKQSDQ-UHFFFAOYSA-N</structure-inchikey> <structure-fingerprint>40000000040000000202800000002000000010000000000400000000000000000000001003000000000000000000000000000000000000000000000000000000000000000000000000000000000000000020000000000100000000001000000000000000410000000000000000000000004000000000000000000000000000000000000040000000000000000000000000000000000000000000020000000000000000080000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000002000000000000000000000000000000100080000000000000600080000000000000000000000000000</structure-fingerprint> <structure-pattern-fingerprint>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</structure-pattern-fingerprint> <structure-pickle>ï¾­Þ������������������������€���`�������`�������(�������(�������(������� ������`�������`�������`�������`�������`�������`�������`�������(�������(�������(�������`�������`�������������� ��(�������������� � � �� ��� � �(� � ������B��������������</structure-pickle> <structure-indexed-at type="dateTime">2026-09-19T04:17:54Z</structure-indexed-at> </compound>