6538 <common-name>3,9-DIMETHYL-6-(1-METHYLETHYL)-1,4-DIOXASPIRO[4.5] DECAN-2-ONE</common-name> <description>3,9-DIMETHYL-6-(1-METHYLETHYL)-1,4-DIOXASPIRO[4.5] DECAN-2-ONE belongs to the terpene lactones, a subclass of prenol lipids within the organic compounds. This compound has the formula C13H22O3 and an average molecular weight of 226.32 g/mol. In industrial applications, it is utilized as a fragrance, a flavouring agent, and a nutrient.</description> <cas>831213-72-0</cas> <pubchem-id>11264633</pubchem-id> <chemical-formula>C13H22O3</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">2016-05-19T02:02:07Z</created-at> <updated-at type="dateTime">2026-04-06T13:28:44Z</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)C1CCC(C)CC11OC(C)C(=O)O1</moldb-smiles> <moldb-formula>C13H22O3</moldb-formula> <moldb-inchi>InChI=1S/C13H22O3/c1-8(2)11-6-5-9(3)7-13(11)15-10(4)12(14)16-13/h8-11H,5-7H2,1-4H3</moldb-inchi> <moldb-inchikey>VUWCGGOBVYCOMA-UHFFFAOYSA-N</moldb-inchikey> <moldb-average-mass type="decimal">226.316</moldb-average-mass> <moldb-mono-mass type="decimal">226.156894568</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>CHEM005433</chemdb-id> <dsstox-id nil="true"/> <toxcast-id nil="true"/> <stoff-ident-origin nil="true"/> <stoff-ident-id nil="true"/> <susdat-id>NS00126142</susdat-id> <iupac nil="true"/> <moldb-polar-surface-area>35.53</moldb-polar-surface-area> <moldb-refractivity>60.915700000000015</moldb-refractivity> <moldb-polarizability>25.601589750217617</moldb-polarizability> <moldb-rotatable-bond-count>1</moldb-rotatable-bond-count> <moldb-acceptor-count>2</moldb-acceptor-count> <moldb-donor-count>0</moldb-donor-count> <moldb-pka-strongest-acidic nil="true"/> <moldb-pka-strongest-basic>-4.431260839143778</moldb-pka-strongest-basic> <moldb-physiological-charge>0</moldb-physiological-charge> <moldb-number-of-rings>2</moldb-number-of-rings> <moldb-alogps-logp>3.06</moldb-alogps-logp> <moldb-alogps-logs>-3.14</moldb-alogps-logs> <moldb-alogps-solubility>1.63e-01 g/l</moldb-alogps-solubility> <kingdom>Organic compounds</kingdom> <superklass>Lipids and lipid-like molecules</superklass> <klass>Prenol lipids</klass> <subklass>Terpene lactones</subklass> <paper-count type="integer">0</paper-count> <sync-id>CED0136510</sync-id> <structure-inchikey>VUWCGGOBVYCOMA-UHFFFAOYSA-N</structure-inchikey> <structure-fingerprint>40800000000000000000000000000000000008000000000000000000000010040040001000000020000000000000000000000000000000000000000000000000000000000000000000000200000000000020800001000000000000000004000000000000000000000000000000000000000000020004000000000000000000100000000048020000000000100000000808000000000000000000000000000000200000040004000000000000080000000000000000000000080000000000000000000000000000000000000000000000000000000000000000000002000000000000002000040000000000000000000000000002000000020000000000000000</structure-fingerprint> <structure-pattern-fingerprint>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</structure-pattern-fingerprint> <structure-pickle type="binary" encoding="base64">776t3gAAAAAQAAAAAwAAAAAAAAAQAAAAEQAAAIABBgBgAAAAAQMGAGAAAAAD AQYAYAAAAAEDBgBgAAAAAwEGAGAAAAACAgYAYAAAAAICBgBgAAAAAwEGAGAA AAABAwYAYAAAAAICBgAgAAAABAgAIAAAAAIGAGAAAAADAQYAYAAAAAEDBgAo AAAAAwQIACgAAAADAggAKAAAAAMCCwABAAECAAEDAAMEAAQFAAUGAAYHAAYI AAgJAAkKAAoLAAsMAAsNAA0OKAINDyAJAwAPCQBCAgAAAAYDCQgGBQQFCgkP DQsXBAAAAAAAAAAW </structure-pickle> <structure-indexed-at type="dateTime">2026-09-19T04:02:23Z</structure-indexed-at> </compound>