<?xml version="1.0" encoding="UTF-8"?>
<compound>
  <id type="integer">337667</id>
  <title nil="true"/>
  <common-name>3-octanoyloxybutan-2-yl undecanoate</common-name>
  <description>3-octanoyloxybutan-2-yl undecanoate is a chemical compound with the formula C23H44O4. It has an average molecular weight of 384.60 g/mol.</description>
  <cas>84016-00-2</cas>
  <pubchem-id>3068956</pubchem-id>
  <chemical-formula>C23H44O4</chemical-formula>
  <weight>384.6</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">2026-08-30T20:35:20Z</created-at>
  <updated-at type="dateTime">2026-08-30T20:35:20Z</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>CCCCCCCCCCC(=O)OC(C)C(C)OC(=O)CCCCCCC</moldb-smiles>
  <moldb-formula>C23H44O4</moldb-formula>
  <moldb-inchi>InChI=1S/C23H44O4/c1-5-7-9-11-12-13-15-17-19-23(25)27-21(4)20(3)26-22(24)18-16-14-10-8-6-2/h20-21H,5-19H2,1-4H3</moldb-inchi>
  <moldb-inchikey>SRGXWNCVDLSBEK-UHFFFAOYSA-N</moldb-inchikey>
  <moldb-average-mass type="decimal" nil="true"/>
  <moldb-mono-mass type="decimal">384.3239599</moldb-mono-mass>
  <origin nil="true"/>
  <state nil="true"/>
  <logp>8.5</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>CHEM333560</chemdb-id>
  <dsstox-id nil="true"/>
  <toxcast-id nil="true"/>
  <stoff-ident-origin nil="true"/>
  <stoff-ident-id nil="true"/>
  <susdat-id nil="true"/>
  <iupac>3-octanoyloxybutan-2-yl undecanoate</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" nil="true"/>
  <sync-id>CED0288099</sync-id>
  <structure-inchikey>SRGXWNCVDLSBEK-UHFFFAOYSA-N</structure-inchikey>
  <structure-fingerprint>40000000000000000400800000000000000000000000000000002000000000000000001002000000000000000000000000000000000000000000002000000000000000000000000000010000000000000020000000000100000000000000000000000020010000000000000000000000000000000000000000000000000000000000000040000000000000000000010000000000000000000000000000001000000000000000000000000400002001000000000048000000000000000000000000000008000000000000000000000000000000000000000000000000000000000000000000000000000000000000010400000000000000000000000000000000</structure-fingerprint>
  <structure-pattern-fingerprint>4000002001120e0009000100010820000000000000052000003000400200000c4002001000800000000041000080000004200084008c10010000643000a00000c6110400000000000080102000720100000400004001003240000422000009000c200100004002000000000045340000200080500105600411080000021000025044000806e0800808020240882c0008111c0812444014020004080000408000004110000010c00000000840016d25100ac00001880108001000000000400200000000840400002200800000010102800000000002004000090000000800020000000800000000000000000000022004001000308042800c0000010050000000</structure-pattern-fingerprint>
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  <structure-indexed-at type="dateTime">2026-09-19T05:38:42Z</structure-indexed-at>
</compound>
