77801 <common-name>Ethyl 2-cyano-2-propylvalerate</common-name> <description>Ethyl 2-cyano-2-propylvalerate belongs to the fatty acid esters, a subclass of fatty acyls within the organic compounds. This lipid and lipid-like molecule has the chemical formula C11H19N1O2 and an average molecular weight of 197.28 g/mol.</description> <cas>66546-90-5</cas> <pubchem-id>99502</pubchem-id> <chemical-formula>C11H19N1O2</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">2026-04-04T10:39:16Z</created-at> <updated-at type="dateTime">2026-04-04T10:39:16Z</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>CCCC(CCC)(C#N)C(=O)OCC</moldb-smiles> <moldb-formula>C11H19N1O2</moldb-formula> <moldb-inchi>InChI=1S/C11H19NO2/c1-4-7-11(9-12,8-5-2)10(13)14-6-3/h4-8H2,1-3H3</moldb-inchi> <moldb-inchikey>CVMXOHNPQYTUOZ-UHFFFAOYSA-N</moldb-inchikey> <moldb-average-mass type="decimal">197.278</moldb-average-mass> <moldb-mono-mass type="decimal">197.141579</moldb-mono-mass> <origin nil="true"/> <state nil="true"/> <logp nil="true"/> <hmdb-id nil="true"/> <chembl-id nil="true"/> <chemspider-id>89895</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>CHEM073694</chemdb-id> <dsstox-id>DTXSID20216727</dsstox-id> <toxcast-id nil="true"/> <stoff-ident-origin nil="true"/> <stoff-ident-id nil="true"/> <susdat-id>NS00036049</susdat-id> <iupac>ethyl 2-cyano-2-propylpentanoate</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">0</paper-count> <sync-id>CED0181587</sync-id> <structure-inchikey>CVMXOHNPQYTUOZ-UHFFFAOYSA-N</structure-inchikey> <structure-fingerprint>40000000200800000002000000010000800000000000000000000000000000002000000000000000040000000000000000000000000000000000000000000000000000000000000000000000020000020000100000000000000000000000220010000000000000000000000000000000000000000000000000000000000000040000000000000000000000000000000000000000000020000000000000000080000000000000200008000002004080000000000000000000000000000000000400000000000000000000000000000000000002000000000000000000000000000000000000000000000000400000000000000000000000000000000</structure-fingerprint> <structure-pattern-fingerprint>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</structure-pattern-fingerprint> <structure-pickle>ï¾­Þ�������������������� ���€���`�������`�������`������� ������`�������`�������`�������(�������(�������(�������(�������(�������`�������`�������������������������������� � (� � ���� �B��������������</structure-pickle> <structure-indexed-at type="dateTime">2026-09-19T04:25:26Z</structure-indexed-at> </compound>