90471 <common-name>Methyl 3-(2,6,6-trimethylcyclohexen-1-yl)acrylate</common-name> <description>Methyl 3-(2,6,6-trimethylcyclohexen-1-yl)acrylate belongs to the fatty acid esters, a subclass of fatty acyls within the organic compounds. It has the formula C13H20O2 and an average molecular weight of 208.30 g/mol. This compound is further classified under the superclass of lipids and lipid-like molecules.</description> <cas>15356-72-6</cas> <pubchem-id>6537949</pubchem-id> <chemical-formula>C13H20O2</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">2026-04-05T00:18:54Z</created-at> <updated-at type="dateTime">2026-04-05T00:18:54Z</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>COC(=O)C=CC1=C(C)CCCC1(C)C</moldb-smiles> <moldb-formula>C13H20O2</moldb-formula> <moldb-inchi>InChI=1/C13H20O2/c1-10-6-5-9-13(2,3)11(10)7-8-12(14)15-4/h7-8H,5-6,9H2,1-4H3</moldb-inchi> <moldb-inchikey>RJLVIISLNKAFCY-BQYQJAHWSA-N</moldb-inchikey> <moldb-average-mass type="decimal">208.301</moldb-average-mass> <moldb-mono-mass type="decimal">208.1463299</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>CHEM086364</chemdb-id> <dsstox-id>DTXSID20934777</dsstox-id> <toxcast-id nil="true"/> <stoff-ident-origin nil="true"/> <stoff-ident-id nil="true"/> <susdat-id>NS00051567</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>Lipids and lipid-like molecules</superklass> <klass>Fatty Acyls</klass> <subklass>Fatty acid esters</subklass> <paper-count type="integer">0</paper-count> <sync-id>CED0120171</sync-id> <structure-inchikey>RJLVIISLNKAFCY-UHFFFAOYSA-N</structure-inchikey> <structure-fingerprint>1000000000000000000000000000000000000800000800000000000001000000000000000000000000000000000000000000000080000000000000000000000000000000000000000002000000020000000002300000000000000000000000000010000001040000000000000000000020000004000000000000000000800000048004000000000000000000080200000000000000000000000000020000000000000000004000000080000000000000000000000000000000000080000000000008000000000000000000000200000000000002000200000000000000000000010000000000000000000000400000000080000000000000000000000</structure-fingerprint> <structure-pattern-fingerprint>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</structure-pattern-fingerprint> <structure-pickle type="binary" encoding="base64">776t3gAAAAAQAAAAAwAAAAAAAAAPAAAADwAAAIABBgBgAAAAAQMIACgAAAAD AgYAKAAAAAMECAAoAAAAAwIGAGgAAAADAwEGAGgAAAADAwEGACgAAAADBAYA KAAAAAMEBgBgAAAAAQMGAGAAAAACAgYAYAAAAAICBgBgAAAAAgIGACAAAAAE BgBgAAAAAQMGAGAAAAABAwsAAQABAiACAygCAgQgBAUoAgUGIAYHKAIHCAAH CQAJCgAKCwALDAAMDQAMDgAMBgBCAQAAAAYGDAsKCQcXBAAAAAAAAAAW </structure-pickle> <structure-indexed-at type="dateTime">2026-09-19T04:33:16Z</structure-indexed-at> </compound>