<?xml version="1.0" encoding="UTF-8"?>
<compound>
  <id type="integer">303719</id>
  <title nil="true"/>
  <common-name>4-(2,2-dimethyl-3,4-dihydrochromen-6-yl)-2-methylbutan-2-ol</common-name>
  <description>4-(2,2-dimethyl-3,4-dihydrochromen-6-yl)-2-methylbutan-2-ol belongs to the 1-benzopyrans, a subclass of benzopyrans within the organic compounds. This organoheterocyclic compound has the formula C16H24O2 and an average molecular weight of 248.36 g/mol.</description>
  <cas>6940-94-9</cas>
  <pubchem-id>246854</pubchem-id>
  <chemical-formula>C16H24O2</chemical-formula>
  <weight>248.36</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">2026-08-28T21:05:54Z</created-at>
  <updated-at type="dateTime">2026-08-28T21:05:54Z</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(CCC2=C(O1)C=CC(=C2)CCC(C)(C)O)C</moldb-smiles>
  <moldb-formula>C16H24O2</moldb-formula>
  <moldb-inchi>InChI=1S/C16H24O2/c1-15(2,17)9-7-12-5-6-14-13(11-12)8-10-16(3,4)18-14/h5-6,11,17H,7-10H2,1-4H3</moldb-inchi>
  <moldb-inchikey>SDJXCMKXGKVZIR-UHFFFAOYSA-N</moldb-inchikey>
  <moldb-average-mass type="decimal" nil="true"/>
  <moldb-mono-mass type="decimal">248.17763</moldb-mono-mass>
  <origin nil="true"/>
  <state nil="true"/>
  <logp>3.5</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>CHEM299612</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>4-(2,2-dimethyl-3,4-dihydrochromen-6-yl)-2-methylbutan-2-ol</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>Benzopyrans</klass>
  <subklass>1-benzopyrans</subklass>
  <paper-count type="integer" nil="true"/>
  <sync-id>CED0254894</sync-id>
  <structure-inchikey>SDJXCMKXGKVZIR-UHFFFAOYSA-N</structure-inchikey>
  <structure-fingerprint>20000000000000000000800000802000000000000000000000000000000000001000000000000200000000040000000000a00000000000000000000000000000000000000000000000000000000000000000800000000000000002000000000000000000010000000000010000100000000000020000000000000000000000000010000048000000010000000100000000200000000000010000081000000020200000080000000000000000080800000000000000000000000000000000000000000000020800000000000000000000000000000000000000200220000000000000000000000000000040000000480000000000000000000000000000000000</structure-fingerprint>
  <structure-pattern-fingerprint>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</structure-pattern-fingerprint>
  <structure-pickle>ï¾­Þ������������������������€���`������� ������`�������`������@(������@(�������(������@h�������@h�������@(������@h��������`�������`������� ������`�������`�������`�������`��������������������h��� ��h���h��	h�	
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  <structure-indexed-at type="dateTime">2026-09-19T05:13:00Z</structure-indexed-at>
</compound>
