67417 <common-name>Diethyl cyclopropane-1,1-dicarboxylate</common-name> <description>Diethyl cyclopropane-1,1-dicarboxylate belongs to the cyclopropanecarboxylic acids and derivatives, a subclass of carboxylic acids and derivatives within the organic compounds. This compound has the formula C9H14O4 and an average molecular weight of 186.21 g/mol. It is further classified under the superclass of organic acids and derivatives.</description> <cas>1559-02-0</cas> <pubchem-id>73790</pubchem-id> <chemical-formula>C9H14O4</chemical-formula> <weight>186.2</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">2026-04-03T09:43:48Z</created-at> <updated-at type="dateTime">2026-08-25T12:48:37Z</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)C1(CC1)C(=O)OCC</moldb-smiles> <moldb-formula>C9H14O4</moldb-formula> <moldb-inchi>InChI=1S/C9H14O4/c1-3-12-7(10)9(5-6-9)8(11)13-4-2/h3-6H2,1-2H3</moldb-inchi> <moldb-inchikey>KYYUCZOHNYSLFV-UHFFFAOYSA-N</moldb-inchikey> <moldb-average-mass type="decimal">186.207</moldb-average-mass> <moldb-mono-mass type="decimal">186.089209</moldb-mono-mass> <origin nil="true"/> <state nil="true"/> <logp>1.2</logp> <hmdb-id nil="true"/> <chembl-id nil="true"/> <chemspider-id>9863</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>CHEM063310</chemdb-id> <dsstox-id>DTXSID80165984</dsstox-id> <toxcast-id nil="true"/> <stoff-ident-origin nil="true"/> <stoff-ident-id nil="true"/> <susdat-id>NS00021697</susdat-id> <iupac>diethyl cyclopropane-1,1-dicarboxylate</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>Organic acids and derivatives</superklass> <klass>Carboxylic acids and derivatives</klass> <subklass>Cyclopropanecarboxylic acids and derivatives</subklass> <paper-count type="integer">12</paper-count> <sync-id>CED0033777</sync-id> <structure-inchikey>KYYUCZOHNYSLFV-UHFFFAOYSA-N</structure-inchikey> <structure-fingerprint>800000000000000010000000000000000000000000000000000002000000000000000000000000000000000000000000000000000010000000000000000000000000000000000020000000000100000000000000000000000000010000004000000000000000000000020000000000000000000000000000000048000000000000000000000000200000000000000000020000000000000000000000000000008000000000000000000000000000000000000000000000000000000000000000000010000000400000000000002000000000000000080000000000000000000000000000000400000000000000000000000000000000</structure-fingerprint> <structure-pattern-fingerprint>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</structure-pattern-fingerprint> <structure-pickle type="binary" encoding="base64">776t3gAAAAAQAAAAAwAAAAAAAAANAAAADQAAAIABBgBgAAAAAQMGAGAAAAAC AggAKAAAAAMCBgAoAAAAAwQIACgAAAADAgYAIAAAAAQGAGAAAAACAgYAYAAA AAICBgAoAAAAAwQIACgAAAADAggAKAAAAAMCBgBgAAAAAgIGAGAAAAABAwsA AQABAgACAyADBCgCAwUABQYABgcABQgACAkoAggKIAoLAAsMAAcFAEIBAAAA AwUGBxcEAAAAAAAAABY= </structure-pickle> <structure-indexed-at type="dateTime">2026-09-19T04:17:40Z</structure-indexed-at> </compound>