101398 <common-name>Ethyl a-cyano-3,3-dimethylbicyclo[2.2.1]heptane-2-propionate</common-name> <description>Ethyl a-cyano-3,3-dimethylbicyclo[2.2.1]heptane-2-propionate belongs to the monoterpenoids, a subclass of prenol lipids within the organic compounds. It has the chemical formula C15H23NO2 and an average molecular weight of 249.35 g/mol.</description> <cas>85665-69-6</cas> <pubchem-id>56842453</pubchem-id> <chemical-formula>C15H23NO2</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">2026-04-05T08:36:10Z</created-at> <updated-at type="dateTime">2026-04-05T08:36:10Z</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>CCOC(=O)C(CC1C2CCC(C2)C1(C)C)C#N</moldb-smiles> <moldb-formula>C15H23NO2</moldb-formula> <moldb-inchi>InChI=1/C15H23NO2/c1-4-18-14(17)11(9-16)8-13-10-5-6-12(7-10)15(13,2)3/h10-13H,4-8H2,1-3H3</moldb-inchi> <moldb-inchikey>OJLDHABDKCBYDV-UHFFFAOYSA-N</moldb-inchikey> <moldb-average-mass type="decimal">249.354</moldb-average-mass> <moldb-mono-mass type="decimal">249.172879</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>CHEM097291</chemdb-id> <dsstox-id>DTXSID601006253</dsstox-id> <toxcast-id nil="true"/> <stoff-ident-origin nil="true"/> <stoff-ident-id nil="true"/> <susdat-id>NS00064635</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>Prenol lipids</klass> <subklass>Monoterpenoids</subklass> <paper-count type="integer">0</paper-count> <sync-id>CED0081920</sync-id> <structure-inchikey>OJLDHABDKCBYDV-UHFFFAOYSA-N</structure-inchikey> <structure-fingerprint>60000080000000000000800000000000000010000000000000000100000000000000000002000200000000000000000000000000000000000000000000800000000080000400000000400000000000000020000020000100000000000000000000000200010000000000008000000000000000020000000000000000000000100000000048000000000000000000000000000000000000000000020000000020000800000004000000000040008000000000000000010000000000000000000000000000000000000000000000000001000000000000022000000000000000200000002000000000000200000000000400000000200000080000000000000001</structure-fingerprint> <structure-pattern-fingerprint>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</structure-pattern-fingerprint> <structure-pickle type="binary" encoding="base64">776t3gAAAAAQAAAAAwAAAAAAAAASAAAAEwAAAIABBgBgAAAAAQMGAGAAAAAC AggAKAAAAAMCBgAoAAAAAwQIACgAAAADAgYAYAAAAAMBBgBgAAAAAgIGAGAA AAADAQYAYAAAAAMBBgBgAAAAAgIGAGAAAAACAgYAYAAAAAMBBgBgAAAAAgIG ACAAAAAEBgBgAAAAAQMGAGAAAAABAwYAKAAAAAIEBwAoAAAAAgMLAAEAAQIA AgMgAwQoAgMFAAUGAAYHAAcIAAgJAAkKAAoLAAsMAAsNAA0OAA0PAAUQABAR CAMNBwAMCABCAgAAAAUHCAwLDQUJCAwLChcEAAAAAAAAABY= </structure-pickle> <structure-indexed-at type="dateTime">2026-09-19T04:39:49Z</structure-indexed-at> </compound>