<?xml version="1.0" encoding="UTF-8"?>
<compound>
  <id type="integer">95010</id>
  <title nil="true"/>
  <common-name>4-(4-Methylpenten-3-yl)cyclohex-3-ene-1-methyl acetate</common-name>
  <description>4-(4-Methylpenten-3-yl)cyclohex-3-ene-1-methyl acetate belongs to the monoterpenoids, a subclass of prenol lipids within the organic compounds. This lipid-like molecule has the chemical formula C15H24O2 and an average molecular weight of 236.35 g/mol.</description>
  <cas>53889-39-7</cas>
  <pubchem-id>103852</pubchem-id>
  <chemical-formula>C15H24O2</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">2026-04-05T03:07:42Z</created-at>
  <updated-at type="dateTime">2026-04-05T03:07:42Z</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>CC(C)=CCCC1=CCC(COC(C)=O)CC1</moldb-smiles>
  <moldb-formula>C15H24O2</moldb-formula>
  <moldb-inchi>InChI=1/C15H24O2/c1-12(2)5-4-6-14-7-9-15(10-8-14)11-17-13(3)16/h5,7,15H,4,6,8-11H2,1-3H3</moldb-inchi>
  <moldb-inchikey>HTQLNWONIAXQKC-UHFFFAOYSA-N</moldb-inchikey>
  <moldb-average-mass type="decimal">236.355</moldb-average-mass>
  <moldb-mono-mass type="decimal">236.17763</moldb-mono-mass>
  <origin nil="true"/>
  <state nil="true"/>
  <logp nil="true"/>
  <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>CHEM090903</chemdb-id>
  <dsstox-id>DTXSID30968664</dsstox-id>
  <toxcast-id nil="true"/>
  <stoff-ident-origin nil="true"/>
  <stoff-ident-id nil="true"/>
  <susdat-id>NS00056905</susdat-id>
  <iupac nil="true"/>
  <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>Prenol lipids</klass>
  <subklass>Monoterpenoids</subklass>
  <paper-count type="integer">0</paper-count>
  <sync-id>CED0087492</sync-id>
  <structure-inchikey>HTQLNWONIAXQKC-UHFFFAOYSA-N</structure-inchikey>
  <structure-fingerprint>4000000000000800000000000000010000000000000000000000000000000000000000040000000000000000010004000000000000000000100000000000000000000000000000200000400000020000000100300080000000000001000000000010000000002000000000000100000020000000000000000000000500010000040000000000000000000800000000040000000000000001000400000000000020004000000000000080000000000000000000000000000000000000000000000020200000000000000000000000000000001000000200000100004000000000000000000000040000000000400000000000000000000000000000000</structure-fingerprint>
  <structure-pattern-fingerprint>4000000001020e0000000000410820000000000081052000002000400200000440020000008000000000010200800000042000ac008c30010000443000a00000c4110400020000000082102000620100000001004000003240000422000009000c3000040040020800000000443000002000801000056004110800000211000200440008044000080800020088080008111c0032444014020004080000008000004100000000c00000000840016c211006c00000084108401000002000400210000000040400000201800000000102800004000002004000090000000800800000000c0000000000000004000080200000100010804000020000000050000000</structure-pattern-fingerprint>
  <structure-pickle>ï¾­Þ������������������������€���`�������(�������`�������h��������`�������`�������(�������h��������`�������`�������`�������(�������(�������`�������(�������`�������`���������������������������������	�	
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  <structure-indexed-at type="dateTime">2026-09-19T04:36:09Z</structure-indexed-at>
</compound>
