98993 <common-name>Methyl 2-oxo-1-(2-pentynyl)cyclopentanecarboxylate</common-name> <description>Methyl 2-oxo-1-(2-pentynyl)cyclopentanecarboxylate belongs to the fatty acid esters, a subclass of fatty acyls within the organic compounds. This lipid-like molecule has the chemical formula C12H16O3 and an average molecular weight of 208.26 g/mol.</description> <cas>68480-23-9</cas> <pubchem-id>109422</pubchem-id> <chemical-formula>C12H16O3</chemical-formula> <weight>208.25</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">2026-04-05T06:35:23Z</created-at> <updated-at type="dateTime">2026-08-27T20:19:17Z</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>CCC#CCC1(CCCC1=O)C(=O)OC</moldb-smiles> <moldb-formula>C12H16O3</moldb-formula> <moldb-inchi>InChI=1/C12H16O3/c1-3-4-5-8-12(11(14)15-2)9-6-7-10(12)13/h3,6-9H2,1-2H3</moldb-inchi> <moldb-inchikey>HYEFLBYVQZARSG-UHFFFAOYSA-N</moldb-inchikey> <moldb-average-mass type="decimal">208.257</moldb-average-mass> <moldb-mono-mass type="decimal">208.1099444</moldb-mono-mass> <origin nil="true"/> <state nil="true"/> <logp>1.9</logp> <hmdb-id nil="true"/> <chembl-id nil="true"/> <chemspider-id nil="true"/> <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>CHEM094886</chemdb-id> <dsstox-id>DTXSID20887416</dsstox-id> <toxcast-id nil="true"/> <stoff-ident-origin nil="true"/> <stoff-ident-id nil="true"/> <susdat-id>NS00061679</susdat-id> <iupac>methyl 2-oxo-1-pent-2-ynylcyclopentane-1-carboxylate</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>CED0155420</sync-id> <structure-inchikey>HYEFLBYVQZARSG-UHFFFAOYSA-N</structure-inchikey> <structure-fingerprint>200000000800000000000000001000000000000000000000000000000000002000020000000000000000000080000000000080000000000000000000000000000000000000000000000000020000020000100000000000000000000000000010000004040014000000000000000020000000000000000000000000800000048000000000000000200000080201000000000000000000000000000000000000000000000000008280000000000000000000000000000000000040000000000000000000000000000000000000000011800000000200000000000000000000000000001000000000002000400000000000000000000000000000000</structure-fingerprint> <structure-pattern-fingerprint>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</structure-pattern-fingerprint> <structure-pickle type="binary" encoding="base64">776t3gAAAAAQAAAAAwAAAAAAAAAPAAAADwAAAIABBgBgAAAAAQMGAGAAAAAC AgYAKAAAAAIEBgAoAAAAAgQGAGAAAAACAgYAIAAAAAQGAGAAAAACAgYAYAAA AAICBgBgAAAAAgIGACgAAAADBAgAKAAAAAMCBgAoAAAAAwQIACgAAAADAggA KAAAAAMCBgBgAAAAAQMLAAEAAQIAAgMIAwMEAAQFAAUGAAYHAAcIAAgJAAkK CAIFCwALDCgCCw0gDQ4ACQUAQgEAAAAFBQYHCAkXBAAAAAAAAAAW </structure-pickle> <structure-indexed-at type="dateTime">2026-09-19T04:38:29Z</structure-indexed-at> </compound>