<?xml version="1.0" encoding="UTF-8"?>
<compound>
  <id type="integer">365277</id>
  <title nil="true"/>
  <common-name>7,7-dimethylbicyclo[2.2.1]heptan-2-one</common-name>
  <description>7,7-dimethylbicyclo[2.2.1]heptan-2-one is a chemical compound with the formula C9H14O. It has an average molecular weight of 138.21 g/mol.</description>
  <cas nil="true"/>
  <pubchem-id>550030</pubchem-id>
  <chemical-formula>C9H14O</chemical-formula>
  <weight>138.21</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">2026-09-01T15:47:08Z</created-at>
  <updated-at type="dateTime">2026-09-01T15:47:08Z</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>CC1(C2CCC1C(=O)C2)C</moldb-smiles>
  <moldb-formula>C9H14O</moldb-formula>
  <moldb-inchi>InChI=1S/C9H14O/c1-9(2)6-3-4-7(9)8(10)5-6/h6-7H,3-5H2,1-2H3</moldb-inchi>
  <moldb-inchikey>DOCLMTQMWGMALI-UHFFFAOYSA-N</moldb-inchikey>
  <moldb-average-mass type="decimal" nil="true"/>
  <moldb-mono-mass type="decimal">138.1044651</moldb-mono-mass>
  <origin nil="true"/>
  <state nil="true"/>
  <logp>1.8</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>CHEM361170</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>7,7-dimethylbicyclo[2.2.1]heptan-2-one</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>Prenol lipids</klass>
  <subklass>Monoterpenoids</subklass>
  <paper-count type="integer" nil="true"/>
  <sync-id>CED0315233</sync-id>
  <structure-inchikey>DOCLMTQMWGMALI-UHFFFAOYSA-N</structure-inchikey>
  <structure-fingerprint>10000000000000000000020000000000000200100000000000000000000000000000000000080000400000000000000000000000020000002000000000000000000000000000000000000000100000000000000000000020000000000000000000000100000000048000000000000000000000002000000000000000000000000000020000000080004000000000000080000000020000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000002000000080000000000000000</structure-fingerprint>
  <structure-pattern-fingerprint>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</structure-pattern-fingerprint>
  <structure-pickle>ï¾­Þ����������������
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  <structure-indexed-at type="dateTime">2026-09-19T06:01:23Z</structure-indexed-at>
</compound>
