76866 <common-name>4-Hexen-1-ol, 5-methyl-2-(1-methylethylidene)-, acetate, dihydro deriv.</common-name> <description>4-Hexen-1-ol, 5-methyl-2-(1-methylethylidene)-, acetate, dihydro deriv. belongs to the carboxylic acid derivatives, a subclass of carboxylic acids and derivatives within the organic compounds. This compound has the chemical formula C12H22O2 and an average molecular weight of 198.31 g/mol.</description> <cas>61792-55-0</cas> <pubchem-id>112727</pubchem-id> <chemical-formula>C12H22O2</chemical-formula> <weight>198.3</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">2026-04-04T07:42:29Z</created-at> <updated-at type="dateTime">2026-08-18T20:44:09Z</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>CC(C)CCC(COC(C)=O)=C(C)C</moldb-smiles> <moldb-formula>C12H22O2</moldb-formula> <moldb-inchi>InChI=1S/C12H22O2/c1-9(2)6-7-12(10(3)4)8-14-11(5)13/h9H,6-8H2,1-5H3</moldb-inchi> <moldb-inchikey>BKMLPORNNFVXMA-UHFFFAOYSA-N</moldb-inchikey> <moldb-average-mass type="decimal">198.306</moldb-average-mass> <moldb-mono-mass type="decimal">198.16198</moldb-mono-mass> <origin nil="true"/> <state nil="true"/> <logp>4</logp> <hmdb-id nil="true"/> <chembl-id nil="true"/> <chemspider-id>101038</chemspider-id> <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>CHEM072759</chemdb-id> <dsstox-id>DTXSID9069500</dsstox-id> <toxcast-id nil="true"/> <stoff-ident-origin nil="true"/> <stoff-ident-id nil="true"/> <susdat-id>NS00034798</susdat-id> <iupac>(5-methyl-2-propan-2-ylidenehexyl) acetate</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>Organic acids and derivatives</superklass> <klass>Carboxylic acids and derivatives</klass> <subklass>Carboxylic acid derivatives</subklass> <paper-count type="integer">0</paper-count> <sync-id>CED0102574</sync-id> <structure-inchikey>BKMLPORNNFVXMA-UHFFFAOYSA-N</structure-inchikey> <structure-fingerprint>40000000000000000000800000000080040010000000008000000000000000000000001000000000000000000000000000000000000000000000000000040000000000000000000000000000000000000020000000000100000000001000000000000000010000000002000000000000000200000000000000000000000000400010000040002000080000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000008000000000000000000000000000000000000000000000000000000400000000000000100080000000000000400000000000000000000080000000000</structure-fingerprint> <structure-pattern-fingerprint>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</structure-pattern-fingerprint> <structure-pickle type="binary" encoding="base64">776t3gAAAAAQAAAAAwAAAAAAAAAOAAAADQAAAIABBgBgAAAAAQMGAGAAAAAD AQYAYAAAAAEDBgBgAAAAAgIGAGAAAAACAgYAKAAAAAMEBgBgAAAAAgIIACgA AAADAgYAKAAAAAMEBgBgAAAAAQMIACgAAAADAgYAKAAAAAMEBgBgAAAAAQMG AGAAAAABAwsAAQABAgABAwADBAAEBQAFBgAGBwAHCCAICQAICigCBQsIAgsM AAsNAEIAAAAAFwQAAAAAAAAAFg== </structure-pickle> <structure-indexed-at type="dateTime">2026-09-19T04:24:44Z</structure-indexed-at> </compound>