8050 <common-name>1,5-OCTADIEN-3-ONE</common-name> <description>1,5-OCTADIEN-3-ONE is an organic compound with the formula C8H12O and an average molecular weight of 124.18 g/mol. 1,5-OCTADIEN-3-ONE belongs to the carbonyl compounds, a subclass of organooxygen compounds within the organic compounds. In industrial applications, it is utilized as a nutrient and a flavouring agent.</description> <cas>65213-86-7</cas> <pubchem-id>182502</pubchem-id> <chemical-formula>C8H12O</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">2016-05-19T02:19:43Z</created-at> <updated-at type="dateTime">2026-04-06T13:30:10Z</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>CCC=CCC(=O)C=C</moldb-smiles> <moldb-formula>C8H12O</moldb-formula> <moldb-inchi>InChI=1S/C8H12O/c1-3-5-6-7-8(9)4-2/h4-6H,2-3,7H2,1H3</moldb-inchi> <moldb-inchikey>VWYBQOFZVSNDAW-UHFFFAOYSA-N</moldb-inchikey> <moldb-average-mass type="decimal">124.183</moldb-average-mass> <moldb-mono-mass type="decimal">124.088815006</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>CHEM006945</chemdb-id> <dsstox-id nil="true"/> <toxcast-id nil="true"/> <stoff-ident-origin nil="true"/> <stoff-ident-id nil="true"/> <susdat-id>NS00126171</susdat-id> <iupac nil="true"/> <moldb-polar-surface-area>17.07</moldb-polar-surface-area> <moldb-refractivity>40.389</moldb-refractivity> <moldb-polarizability>14.85049330626352</moldb-polarizability> <moldb-rotatable-bond-count>4</moldb-rotatable-bond-count> <moldb-acceptor-count>1</moldb-acceptor-count> <moldb-donor-count>0</moldb-donor-count> <moldb-pka-strongest-acidic>16.79738160237854</moldb-pka-strongest-acidic> <moldb-pka-strongest-basic>-4.840552773470602</moldb-pka-strongest-basic> <moldb-physiological-charge>0</moldb-physiological-charge> <moldb-number-of-rings>0</moldb-number-of-rings> <moldb-alogps-logp>1.97</moldb-alogps-logp> <moldb-alogps-logs>-2.46</moldb-alogps-logs> <moldb-alogps-solubility>4.32e-01 g/l</moldb-alogps-solubility> <kingdom>Organic compounds</kingdom> <superklass>Organic oxygen compounds</superklass> <klass>Organooxygen compounds</klass> <subklass>Carbonyl compounds</subklass> <paper-count type="integer">3</paper-count> <sync-id>CED0023165</sync-id> <structure-inchikey>VWYBQOFZVSNDAW-UHFFFAOYSA-N</structure-inchikey> <structure-fingerprint>800000000000000000400000000000000000000000000000000002000000000000000000000000000000000000000000000000000000000800000000000000000000000000000020000000000200000000000004000000000000010000000000000000000000000000000000000100000000000000000000000040000001000000000002000000000000000000000000000000000000000000000000000000080200000000000000000000020000000000000000000000000400000000000000000000040000000000000000000000000000000000000000000000000000001000000000000400001000000000000000000000000000</structure-fingerprint> <structure-pattern-fingerprint>40000000000000020000000000000040000000000400000000040000000008000000000010000000000042000000004000000004420002000008011000000000000000000000042000000000000400000020004000000000800003000000000000020000000400000002000001000004000110800000010000200400000044000000800000008000000100400024440000000000800000000000041000008000000000008000000000002c00002000008000000000000000000000000000400000000c00000000000000000000000004000000000000800000000000c0000000000000004000000000000100000004000000000020050000000</structure-pattern-fingerprint> <structure-pickle type="binary" encoding="base64">776t3gAAAAAQAAAAAwAAAAAAAAAJAAAACAAAAIABBgBgAAAAAQMGAGAAAAAC AgYAaAAAAAMDAQYAaAAAAAMDAQYAYAAAAAICBgAoAAAAAwQIACgAAAADAgYA aAAAAAMDAQYAaAAAAAMCAgsAAQABAgACAwgCAwQABAUABQYoAgUHIAcIKAJC AAAAABcEAAAAAAAAABY= </structure-pickle> <structure-indexed-at type="dateTime">2026-09-19T04:03:09Z</structure-indexed-at> </compound>