<?xml version="1.0" encoding="UTF-8"?>
<compound>
  <id type="integer">278889</id>
  <title nil="true"/>
  <common-name>3,6-dimethyl-1,3,3a,4,5,7a-hexahydro-2-benzofuran</common-name>
  <description nil="true"/>
  <cas nil="true"/>
  <pubchem-id>131752931</pubchem-id>
  <chemical-formula>C10H16O</chemical-formula>
  <weight>152.23</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">2026-08-26T18:48:31Z</created-at>
  <updated-at type="dateTime">2026-08-26T18:48:31Z</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>CC1C2CCC(=CC2CO1)C</moldb-smiles>
  <moldb-formula>C10H16O</moldb-formula>
  <moldb-inchi>InChI=1S/C10H16O/c1-7-3-4-10-8(2)11-6-9(10)5-7/h5,8-10H,3-4,6H2,1-2H3</moldb-inchi>
  <moldb-inchikey>DBDSRLQPJKTGQF-UHFFFAOYSA-N</moldb-inchikey>
  <moldb-average-mass type="decimal" nil="true"/>
  <moldb-mono-mass type="decimal">152.1201151</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>CHEM274782</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>3,6-dimethyl-1,3,3a,4,5,7a-hexahydro-2-benzofuran</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>Organoheterocyclic compounds</superklass>
  <klass>Isobenzofurans</klass>
  <subklass nil="true"/>
  <paper-count type="integer" nil="true"/>
  <sync-id>CED0230966</sync-id>
  <structure-inchikey>DBDSRLQPJKTGQF-UHFFFAOYSA-N</structure-inchikey>
  <structure-fingerprint>80000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000080000000000000000000000000004000000000000040000000002200000000800000000000000028000000000000000000200000201000800000000000000002020000000000000000000000100000000040000000000000000000000000000000000000000000000000000000000000040004000000000000080000000000000000000000000000000000000000000000000000000000000000000000000000000000002000200000000000000000000000000000000040000001000010000000000000100000000000000000</structure-fingerprint>
  <structure-pattern-fingerprint>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</structure-pattern-fingerprint>
  <structure-pickle>ï¾­Þ������������������������€���`�������`�������`�������`�������`�������(�������h��������`�������`������� ������`��������������������������������	��
�	�����B���������	�����������������</structure-pickle>
  <structure-indexed-at type="dateTime">2026-09-19T04:54:20Z</structure-indexed-at>
</compound>
