90851 <common-name>Hexahydro-2,4,4,7-tetramethyl-4H-1,3-benzodioxin</common-name> <description>Hexahydro-2,4,4,7-tetramethyl-4H-1,3-benzodioxin belongs to the 1,3-dioxanes, a subclass of dioxanes within the organic compounds. It is classified as an organoheterocyclic compound with the formula C12H22O2. This compound has an average molecular weight of 198.31 g/mol.</description> <cas>13162-41-9</cas> <pubchem-id>114471</pubchem-id> <chemical-formula>C12H22O2</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">2026-04-05T00:31:50Z</created-at> <updated-at type="dateTime">2026-04-05T00:31:50Z</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>CC1CCC2C(C1)OC(C)OC2(C)C</moldb-smiles> <moldb-formula>C12H22O2</moldb-formula> <moldb-inchi>InChI=1/C12H22O2/c1-8-5-6-10-11(7-8)13-9(2)14-12(10,3)4/h8-11H,5-7H2,1-4H3</moldb-inchi> <moldb-inchikey>IUAVIWFKLFEYLT-UHFFFAOYSA-N</moldb-inchikey> <moldb-average-mass type="decimal">198.306</moldb-average-mass> <moldb-mono-mass type="decimal">198.1619799</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>CHEM086744</chemdb-id> <dsstox-id>DTXSID50927293</dsstox-id> <toxcast-id nil="true"/> <stoff-ident-origin nil="true"/> <stoff-ident-id nil="true"/> <susdat-id>NS00052008</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>Dioxanes</klass> <subklass>1,3-dioxanes</subklass> <paper-count type="integer">0</paper-count> <sync-id>CED0178874</sync-id> <structure-inchikey>IUAVIWFKLFEYLT-UHFFFAOYSA-N</structure-inchikey> <structure-fingerprint>4000000000040000000000040000000000000000000000000000000000000000000000001000000000000000000000000000000000000000000000000000000010000000000200000000000000000000000800000002000000000000000000000000000000000000000000000000000000000020000000000000000000000100000000048020000000000000800000800000000000000000000000000000020000800040004000000000000000000000000800000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000003000000000000000100000000040000001000000800000000000000000</structure-fingerprint> <structure-pattern-fingerprint>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</structure-pattern-fingerprint> <structure-pickle type="binary" encoding="base64">776t3gAAAAAQAAAAAwAAAAAAAAAOAAAADwAAAIABBgBgAAAAAQMGAGAAAAAD AQYAYAAAAAICBgBgAAAAAgIGAGAAAAADAQYAYAAAAAMBBgBgAAAAAgIIACAA AAACBgBgAAAAAwEGAGAAAAABAwgAIAAAAAIGACAAAAAEBgBgAAAAAQMGAGAA AAABAwsAAQABAgACAwADBAAEBQAFBgAFBwAHCAAICQAICgAKCwALDAALDQAG AQALBABCAgAAAAYBBgUEAwIGBwgKCwQFFwQAAAAAAAAAFg== </structure-pickle> <structure-indexed-at type="dateTime">2026-09-19T04:33:28Z</structure-indexed-at> </compound>