<?xml version="1.0" encoding="UTF-8"?>
<compound>
  <id type="integer">102957</id>
  <title nil="true"/>
  <common-name>Tetrahydro-6-methyl-4-(2,6,6-trimethyl-2-cyclohexen-1-yl)-2H-pyran-2-one</common-name>
  <description>Tetrahydro-6-methyl-4-(2,6,6-trimethyl-2-cyclohexen-1-yl)-2H-pyran-2-one belongs to the delta valerolactones, a subclass of lactones within the organic compounds. It is categorized as an organoheterocyclic compound with the formula C15H24O2 and an average molecular weight of 236.35 g/mol.</description>
  <cas>94201-66-8</cas>
  <pubchem-id>3023999</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">2026-04-05T10:07:42Z</created-at>
  <updated-at type="dateTime">2026-04-05T10:07:42Z</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>CC1CC(CC(=O)O1)C1C(C)=CCCC1(C)C</moldb-smiles>
  <moldb-formula>C15H24O2</moldb-formula>
  <moldb-inchi>InChI=1/C15H24O2/c1-10-6-5-7-15(3,4)14(10)12-8-11(2)17-13(16)9-12/h6,11-12,14H,5,7-9H2,1-4H3</moldb-inchi>
  <moldb-inchikey>BAIZNVNREZOVOH-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>CHEM098850</chemdb-id>
  <dsstox-id>DTXSID90916121</dsstox-id>
  <toxcast-id nil="true"/>
  <stoff-ident-origin nil="true"/>
  <stoff-ident-id nil="true"/>
  <susdat-id>NS00066501</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>Organoheterocyclic compounds</superklass>
  <klass>Lactones</klass>
  <subklass>Delta valerolactones</subklass>
  <paper-count type="integer">0</paper-count>
  <sync-id>CED0092762</sync-id>
  <structure-inchikey>BAIZNVNREZOVOH-UHFFFAOYSA-N</structure-inchikey>
  <structure-fingerprint>10000000020000010000000000000004000020000000000000000000000000000000000000000000000000000000000000000000410000000000000020800000000000000004800002000000000000000000000000000000000100000000020000000000201000000040100000000048000000000000000000041000200004000000000000800000000020000800040000000000000000080000000000000000000000000000001000000000000000000000000000000000000001000000000000002000000000000004000000000000000000000040000040008000000000000000000000000000000000</structure-fingerprint>
  <structure-pattern-fingerprint>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</structure-pattern-fingerprint>
  <structure-pickle>ï¾­Þ������������������������€���`�������`�������`�������`�������`�������(�������(�������(�������`�������(�������`�������h��������`�������`������� ������`�������`�����������������������(��� ����	�	
�	����������������������B������������	��������������</structure-pickle>
  <structure-indexed-at type="dateTime">2026-09-19T04:40:43Z</structure-indexed-at>
</compound>
