101229 <common-name>3A,4,5,6,7,7a-hexahydro-4,7-methano-1H-indenyl isobutyrate</common-name> <description>3A,4,5,6,7,7a-hexahydro-4,7-methano-1H-indenyl isobutyrate belongs to the monoterpenoids, a subclass of prenol lipids within the organic compounds. It is classified under the superclass of lipids and lipid-like molecules. The compound has the chemical formula C14H20O2 and an average molecular weight of 220.31 g/mol.</description> <cas>93941-73-2</cas> <pubchem-id>44149070</pubchem-id> <chemical-formula>C14H20O2</chemical-formula> <weight>220.31</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">2026-04-05T08:28:30Z</created-at> <updated-at type="dateTime">2026-08-28T08:41:06Z</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)C(=O)OC1C=CC2C3CCC(C3)C12</moldb-smiles> <moldb-formula>C14H20O2</moldb-formula> <moldb-inchi>InChI=1/C14H20O2/c1-8(2)14(15)16-12-6-5-11-9-3-4-10(7-9)13(11)12/h5-6,8-13H,3-4,7H2,1-2H3</moldb-inchi> <moldb-inchikey>XEWHAZXTDUYYBY-UHFFFAOYSA-N</moldb-inchikey> <moldb-average-mass type="decimal">220.312</moldb-average-mass> <moldb-mono-mass type="decimal">220.1463299</moldb-mono-mass> <origin nil="true"/> <state nil="true"/> <logp>3.6</logp> <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>CHEM097122</chemdb-id> <dsstox-id>DTXSID20916977</dsstox-id> <toxcast-id nil="true"/> <stoff-ident-origin nil="true"/> <stoff-ident-id nil="true"/> <susdat-id>NS00064420</susdat-id> <iupac>3-tricyclo[5.2.1.02,6]dec-4-enyl 2-methylpropanoate</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>Lipids and lipid-like molecules</superklass> <klass>Prenol lipids</klass> <subklass>Monoterpenoids</subklass> <paper-count type="integer">0</paper-count> <sync-id>CED0123047</sync-id> <structure-inchikey>XEWHAZXTDUYYBY-UHFFFAOYSA-N</structure-inchikey> <structure-fingerprint>400000000000000000000000000000000000100000000000000000000000000000100010000000000000000000002000000000000000000000000000000000000000000000000000104000000040000000200000000001000000000000001000000000000100000000000200000000000000000202000000000000000800001000000000c0000010008000000200000000000000000000000000000000000000000800000004000004000000000000000000002000000000000000000000000000108000000000000000000000000000000000000000000000000000000008000000000000000000000040000000000400000000000000000000000000000001</structure-fingerprint> <structure-pattern-fingerprint>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</structure-pattern-fingerprint> <structure-pickle type="binary" encoding="base64">776t3gAAAAAQAAAAAwAAAAAAAAAQAAAAEgAAAIABBgBgAAAAAQMGAGAAAAAD AQYAYAAAAAEDBgAoAAAAAwQIACgAAAADAggAKAAAAAMCBgBgAAAAAwEGAGgA AAADAwEGAGgAAAADAwEGAGAAAAADAQYAYAAAAAMBBgBgAAAAAgIGAGAAAAAC AgYAYAAAAAMBBgBgAAAAAgIGAGAAAAADAQsAAQABAgABAwADBCgCAwUgBQYA BgcABwgIAggJAAkKAAoLAAsMAAwNAA0OAA0PAA8GAA8JAA4KAEIDAAAABQYH CAkPBQsKDg0MBQ4NDwkKFwQAAAAAAAAAFg== </structure-pickle> <structure-indexed-at type="dateTime">2026-09-19T04:39:42Z</structure-indexed-at> </compound>