95399 <common-name>Ethyl 2-hexyl-3-oxocyclopentanecarboxylate</common-name> <description>Ethyl 2-hexyl-3-oxocyclopentanecarboxylate belongs to the carboxylic acid derivatives, a subclass of carboxylic acids and derivatives within the organic compounds. This compound has the chemical formula C14H24O3 and an average molecular weight of 240.34 g/mol.</description> <cas>37172-54-6</cas> <pubchem-id>169863</pubchem-id> <chemical-formula>C14H24O3</chemical-formula> <weight>240.34</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">2026-04-05T03:20:50Z</created-at> <updated-at type="dateTime">2026-08-19T07:41:18Z</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>CCCCCCC1C(CCC1=O)C(=O)OCC</moldb-smiles> <moldb-formula>C14H24O3</moldb-formula> <moldb-inchi>InChI=1/C14H24O3/c1-3-5-6-7-8-11-12(9-10-13(11)15)14(16)17-4-2/h11-12H,3-10H2,1-2H3</moldb-inchi> <moldb-inchikey>INTQBOZOCPYNQM-UHFFFAOYSA-N</moldb-inchikey> <moldb-average-mass type="decimal">240.343</moldb-average-mass> <moldb-mono-mass type="decimal">240.1725446</moldb-mono-mass> <origin nil="true"/> <state nil="true"/> <logp>3.4</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>CHEM091292</chemdb-id> <dsstox-id>DTXSID30885665</dsstox-id> <toxcast-id nil="true"/> <stoff-ident-origin nil="true"/> <stoff-ident-id nil="true"/> <susdat-id>NS00057368</susdat-id> <iupac>ethyl 2-hexyl-3-oxocyclopentane-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>Organic acids and derivatives</superklass> <klass>Carboxylic acids and derivatives</klass> <subklass>Carboxylic acid derivatives</subklass> <paper-count type="integer">0</paper-count> <sync-id>CED0150601</sync-id> <structure-inchikey>INTQBOZOCPYNQM-UHFFFAOYSA-N</structure-inchikey> <structure-fingerprint>800000000000000210000000000080004000000000000000000002000020000200000000200000400008000000000000000000000000000002000000000000010000000000000020000004000100000000000000000000000020010000008000000000000000000000020000000000000000000100110000000040000000000000000000010000000800000000000000020000000000000000000004000020000000080000000000000008000000000000000000000000000000000000000000000000000000000000000000002000200000000000000000000000000000000000000000010400000000000000000000000000000000</structure-fingerprint> <structure-pattern-fingerprint>4000002001020e00080000000108a0000200040001052000002420400200000c4002001000800000000001080080004004200084008c10010000443000a00000c4110400001000000090102000620100000000805001003240040422000009000c200000004002002000000044300000200080100005e0041108002002100002004400080c400008080002008808000811140012444014020004080000008005044100000800c00000000840016c211002c000028801080018000a00084002000001000404000012008000000401028000040000020040200d000204080001000010080000000000000000000000200000100010804000080000020050000000</structure-pattern-fingerprint> <structure-pickle>ï¾­Þ������������������������€���`�������`�������`�������`�������`�������`�������`�������`�������`�������`�������(�������(�������(�������(�������(�������`�������`������������������������������� � � ������� (��� ������ ��B�������� ����������</structure-pickle> <structure-indexed-at type="dateTime">2026-09-19T04:36:23Z</structure-indexed-at> </compound>