<?xml version="1.0" encoding="UTF-8"?>
<compound>
  <id type="integer">77155</id>
  <title nil="true"/>
  <common-name>Cyclopentyl butyrate</common-name>
  <description>Cyclopentyl butyrate belongs to the fatty acid esters, a subclass of fatty acyls within the organic compounds. This lipid-like molecule has the chemical formula C9H16O2 and an average molecular weight of 156.22 g/mol.</description>
  <cas>6290-13-7</cas>
  <pubchem-id>80503</pubchem-id>
  <chemical-formula>C9H16O2</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">2026-04-04T08:22:55Z</created-at>
  <updated-at type="dateTime">2026-04-04T08:22:55Z</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(=O)OC1CCCC1</moldb-smiles>
  <moldb-formula>C9H16O2</moldb-formula>
  <moldb-inchi>InChI=1S/C9H16O2/c1-2-5-9(10)11-8-6-3-4-7-8/h8H,2-7H2,1H3</moldb-inchi>
  <moldb-inchikey>OZORRWASBYZFPY-UHFFFAOYSA-N</moldb-inchikey>
  <moldb-average-mass type="decimal">156.225</moldb-average-mass>
  <moldb-mono-mass type="decimal">156.11503</moldb-mono-mass>
  <origin nil="true"/>
  <state nil="true"/>
  <logp nil="true"/>
  <hmdb-id nil="true"/>
  <chembl-id nil="true"/>
  <chemspider-id>72702</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>CHEM073048</chemdb-id>
  <dsstox-id>DTXSID60212081</dsstox-id>
  <toxcast-id nil="true"/>
  <stoff-ident-origin nil="true"/>
  <stoff-ident-id nil="true"/>
  <susdat-id>NS00035212</susdat-id>
  <iupac>cyclopentyl butanoate</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">318</paper-count>
  <sync-id>CED0013022</sync-id>
  <structure-inchikey>OZORRWASBYZFPY-UHFFFAOYSA-N</structure-inchikey>
  <structure-fingerprint>800000000100000000000000000000000000000000000000000002000000000000000000000000000000000000002000000000000000000000000000000000000000000000000020000000200100000000000000000000000020010000000000000000000020000000020000000000000000000000100800000040000000000000000200001000000000000000000000000000000000080000000004000000040000002000002000000000000000000000000000000000000008000000000000000000000000000000000000000000000000000000000000000000000000000000000000000400000000000000000000000000000000</structure-fingerprint>
  <structure-pattern-fingerprint>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</structure-pattern-fingerprint>
  <structure-pickle>ï¾­Þ������������������������€���`�������`�������`�������(�������(�������(�������`�������`�������`�������`�������`�����������������(��� ����������	�	
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  <structure-indexed-at type="dateTime">2026-09-19T04:24:57Z</structure-indexed-at>
</compound>
