97063 <common-name>3-Methyl-5-(2,6,6-trimethyl-2-cyclohexen-1-yl)isoxazole</common-name> <description>3-Methyl-5-(2,6,6-trimethyl-2-cyclohexen-1-yl)isoxazole belongs to the isoxazoles, a subclass of azoles within the organic compounds. It is categorized as an organoheterocyclic compound with the chemical formula C13H19NO. The compound has an average molecular weight of 205.30 g/mol.</description> <cas>39190-09-5</cas> <pubchem-id>3016056</pubchem-id> <chemical-formula>C13H19NO</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">2026-04-05T05:02:10Z</created-at> <updated-at type="dateTime">2026-04-05T05:02:10Z</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=NOC(=C1)C1C(C)=CCCC1(C)C</moldb-smiles> <moldb-formula>C13H19NO</moldb-formula> <moldb-inchi>InChI=1/C13H19NO/c1-9-6-5-7-13(3,4)12(9)11-8-10(2)14-15-11/h6,8,12H,5,7H2,1-4H3</moldb-inchi> <moldb-inchikey>UEBXVANRKDLJNF-UHFFFAOYSA-N</moldb-inchikey> <moldb-average-mass type="decimal">205.301</moldb-average-mass> <moldb-mono-mass type="decimal">205.1466642</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>CHEM092956</chemdb-id> <dsstox-id>DTXSID70959970</dsstox-id> <toxcast-id nil="true"/> <stoff-ident-origin nil="true"/> <stoff-ident-id nil="true"/> <susdat-id>NS00059305</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>Azoles</klass> <subklass>Isoxazoles</subklass> <paper-count type="integer">0</paper-count> <sync-id>CED0089886</sync-id> <structure-inchikey>UEBXVANRKDLJNF-UHFFFAOYSA-N</structure-inchikey> <structure-fingerprint>800000000000000000000000000000000040000010000000000000000000800000000000000000000000000000002000000000000000000000000000000000000000000000000000000008000000000000800000000040000000011000000000000000000000000000000000100000000000020000000000000000000040100000000048000000000000000000001000200000000000000000800000000020000200000000000000000000080000000000000000000000000000000000000002800000000000000000000000000001000000010000002010000000000004000200000000000000000040000040000000000000000000000000000000000000</structure-fingerprint> <structure-pattern-fingerprint>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</structure-pattern-fingerprint> <structure-pickle>ï¾­Þ������������������������€���`������@(������@(������@(������@(������@h��������`�������(�������`�������h��������`�������`������� ������`�������`�����������h���h���h���h����������� �� � ������ ������h����B������������ �������������</structure-pickle> <structure-indexed-at type="dateTime">2026-09-19T04:37:23Z</structure-indexed-at> </compound>