66624 <common-name>Bicyclo[2.2.1]hept-5-ene-2-carboxylic acid, 3-(1-methylethyl)-, ethyl ester, (2-endo,3-exo)-</common-name> <description>Bicyclo[2.2.1]hept-5-ene-2-carboxylic acid, 3-(1-methylethyl)-, ethyl ester, (2-endo,3-exo)- belongs to the carboxylic acid derivatives, a subclass of carboxylic acids and derivatives within the organic compounds. This organic compound has the chemical formula C13H20O2 and an average molecular weight of 208.30 g/mol. It is classified within the superclass of organic acids and derivatives. In industrial applications, the compound is used as a fragrance.</description> <cas>116044-44-1</cas> <pubchem-id>121232747</pubchem-id> <chemical-formula>C13H20O2</chemical-formula> <weight>208.3</weight> <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">2026-04-03T06:58:57Z</created-at> <updated-at type="dateTime">2026-08-28T02:43:03Z</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@H]1[C@@H]2C[C@@H](C=C2)[C@@H]1C(C)C</moldb-smiles> <moldb-formula>C13H20O2</moldb-formula> <moldb-inchi>InChI=1S/C13H20O2/c1-4-15-13(14)12-10-6-5-9(7-10)11(12)8(2)3/h5-6,8-12H,4,7H2,1-3H3/t9-,10+,11+,12+/m1/s1</moldb-inchi> <moldb-inchikey>HJEFAEQTNTXLHL-RHYQMDGZSA-N</moldb-inchikey> <moldb-average-mass type="decimal">208.301</moldb-average-mass> <moldb-mono-mass type="decimal">208.14633</moldb-mono-mass> <origin nil="true"/> <state nil="true"/> <logp>3.1</logp> <hmdb-id nil="true"/> <chembl-id nil="true"/> <chemspider-id>23349262</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>CHEM062517</chemdb-id> <dsstox-id>DTXSID5051315</dsstox-id> <toxcast-id nil="true"/> <stoff-ident-origin nil="true"/> <stoff-ident-id nil="true"/> <susdat-id>NS00019636</susdat-id> <iupac>ethyl (1S,2S,3S,4R)-2-propan-2-ylbicyclo[2.2.1]hept-5-ene-3-carboxylate</iupac> <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>Organic acids and derivatives</superklass> <klass>Carboxylic acids and derivatives</klass> <subklass>Carboxylic acid derivatives</subklass> <paper-count type="integer">0</paper-count> <sync-id>CED0101555</sync-id> <structure-inchikey>HJEFAEQTNTXLHL-RHYQMDGZSA-N</structure-inchikey> <structure-fingerprint>40000000000000000000800000000000000010000000000000000000000000040000001002000000000100000000000000000000000000000000000000000000000002000000000000000000000000000020000004000100000000000080000000000000010000000000800000000000000000020004000000000000000000100000000040000010000000000000000000000000000000000000020000000000000800000020000000020000000401000000000000000000000000004000040000000000000000000000000000000000000000000000002000001000000000000000000000000000000040000000000400000000000000000000000000000000</structure-fingerprint> <structure-pattern-fingerprint>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</structure-pattern-fingerprint> <structure-pickle type="binary" encoding="base64">776t3gAAAAAQAAAAAwAAAAAAAAAPAAAAEAAAAIABBgBgAAAAAQMGAGAAAAAC AggAKAAAAAMCBgAoAAAAAwQIACgAAAADAgYgNAAAAAEBBAYgNAAAAAIBBAYA YAAAAAICBiA0AAAAAQEEBgBoAAAAAwMBBgBoAAAAAwMBBiA0AAAAAgEEBgBg AAAAAwEGAGAAAAABAwYAYAAAAAEDCwABAAECAAIDIAMEKAIDBQAFBgAGBwAH CAAICQAJCggCCAsACwwADA0ADA4ACwUACgYAQgIAAAAFBQYHCAsFBwYKCQgX BAAAAAAAAAAW </structure-pickle> <structure-indexed-at type="dateTime">2026-09-19T04:17:08Z</structure-indexed-at> </compound>