6411 <common-name>DEHYDRODIHYDROIONOL</common-name> <description>DEHYDRODIHYDROIONOL is an organic compound with the formula C13H22O and an average molecular weight of 194.31 g/mol. DEHYDRODIHYDROIONOL belongs to the sesquiterpenoids, a subclass of prenol lipids within the organic compounds. It is classified within the superclass of lipids and lipid-like molecules. In industrial applications, this compound serves as a flavouring and nutrient.</description> <cas>57069-86-0</cas> <pubchem-id>62126</pubchem-id> <chemical-formula>C13H22O</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">2016-05-19T02:00:23Z</created-at> <updated-at type="dateTime">2026-04-03T10:26:02Z</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(O)CCC1=C(C)C=CCC1(C)C</moldb-smiles> <moldb-formula>C13H22O</moldb-formula> <moldb-inchi>InChI=1S/C13H22O/c1-10-6-5-9-13(3,4)12(10)8-7-11(2)14/h5-6,11,14H,7-9H2,1-4H3</moldb-inchi> <moldb-inchikey>WPGXAVCJKGSOBD-UHFFFAOYSA-N</moldb-inchikey> <moldb-average-mass type="decimal">194.3132</moldb-average-mass> <moldb-mono-mass type="decimal">194.167065326</moldb-mono-mass> <origin nil="true"/> <state nil="true"/> <logp nil="true"/> <hmdb-id nil="true"/> <chembl-id nil="true"/> <chemspider-id>55960</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>CHEM005306</chemdb-id> <dsstox-id nil="true"/> <toxcast-id nil="true"/> <stoff-ident-origin nil="true"/> <stoff-ident-id nil="true"/> <susdat-id>NS00022401</susdat-id> <iupac nil="true"/> <moldb-polar-surface-area>20.23</moldb-polar-surface-area> <moldb-refractivity>62.9764</moldb-refractivity> <moldb-polarizability>24.015992875294206</moldb-polarizability> <moldb-rotatable-bond-count>3</moldb-rotatable-bond-count> <moldb-acceptor-count>1</moldb-acceptor-count> <moldb-donor-count>1</moldb-donor-count> <moldb-pka-strongest-acidic>17.716205174621084</moldb-pka-strongest-acidic> <moldb-pka-strongest-basic>-1.6107318566207374</moldb-pka-strongest-basic> <moldb-physiological-charge>0</moldb-physiological-charge> <moldb-number-of-rings>1</moldb-number-of-rings> <moldb-alogps-logp>4.29</moldb-alogps-logp> <moldb-alogps-logs>-2.70</moldb-alogps-logs> <moldb-alogps-solubility>3.88e-01 g/l</moldb-alogps-solubility> <kingdom>Organic compounds</kingdom> <superklass>Lipids and lipid-like molecules</superklass> <klass>Prenol lipids</klass> <subklass>Sesquiterpenoids</subklass> <paper-count type="integer">0</paper-count> <sync-id>CED0076494</sync-id> <structure-inchikey>WPGXAVCJKGSOBD-UHFFFAOYSA-N</structure-inchikey> <structure-fingerprint>400000000000000400008000000000000000000000000000000000001000000000400010000000200000000000000000000020000000000000000000000000000000000010000000000000000000000000000000000400000000000010000000000000000100000000000000000000000000400200000040000000000000000000000200480000000000000000800000000000000000002000000010000000a0000000000000000000000000080000000000000000000000000000000000000000000000000000000000000000000000000000000000002000000000000000000000020400080000000040000020000000000000000000000000000000000000</structure-fingerprint> <structure-pattern-fingerprint>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</structure-pattern-fingerprint> <structure-pickle type="binary" encoding="base64">776t3gAAAAAQAAAAAwAAAAAAAAAOAAAADgAAAIABBgBgAAAAAQMGAGAAAAAD AQgAYAAAAAEBBgBgAAAAAgIGAGAAAAACAgYAKAAAAAMEBgAoAAAAAwQGAGAA AAABAwYAaAAAAAMDAQYAaAAAAAMDAQYAYAAAAAICBgAgAAAABAYAYAAAAAED BgBgAAAAAQMLAAEAAQIAAQMAAwQABAUABQYoAgYHAAYIIAgJKAIJCgAKCwAL DAALDQALBQBCAQAAAAYFCwoJCAYXBAAAAAAAAAAW </structure-pickle> <structure-indexed-at type="dateTime">2026-09-19T04:02:19Z</structure-indexed-at> </compound>