69501 <common-name>Cyclohexylmethyl isovalerate</common-name> <description>Cyclohexylmethyl isovalerate belongs to the fatty acid esters, a subclass of fatty acyls within the organic compounds. It is a lipid and lipid-like molecule with the formula C12H22O2 and an average molecular weight of 198.31 g/mol.</description> <cas>15840-95-6</cas> <pubchem-id>85136</pubchem-id> <chemical-formula>C12H22O2</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">2026-04-03T15:21:58Z</created-at> <updated-at type="dateTime">2026-04-03T15:21:58Z</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)CC(=O)OCC1CCCCC1</moldb-smiles> <moldb-formula>C12H22O2</moldb-formula> <moldb-inchi>InChI=1S/C12H22O2/c1-10(2)8-12(13)14-9-11-6-4-3-5-7-11/h10-11H,3-9H2,1-2H3</moldb-inchi> <moldb-inchikey>OPKFCIJVNFYFCT-UHFFFAOYSA-N</moldb-inchikey> <moldb-average-mass type="decimal">198.306</moldb-average-mass> <moldb-mono-mass type="decimal">198.16198</moldb-mono-mass> <origin nil="true"/> <state nil="true"/> <logp nil="true"/> <hmdb-id nil="true"/> <chembl-id nil="true"/> <chemspider-id>76784</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>CHEM065394</chemdb-id> <dsstox-id>DTXSID20166415</dsstox-id> <toxcast-id nil="true"/> <stoff-ident-origin nil="true"/> <stoff-ident-id nil="true"/> <susdat-id>NS00025148</susdat-id> <iupac>cyclohexylmethyl 3-methylbutanoate</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>Fatty Acyls</klass> <subklass>Fatty acid esters</subklass> <paper-count type="integer">4</paper-count> <sync-id>CED0044588</sync-id> <structure-inchikey>OPKFCIJVNFYFCT-UHFFFAOYSA-N</structure-inchikey> <structure-fingerprint>60000004080000000000c00000001000000010000000000000000000000000000000001000000000000000000000000000000000000000000000000008000000000000000000000000000000000000000020000000000100000000000000000000000000010000000000001000000020000000020000000000000000000000100800000040000000000000000000800000000000000000000000000000000000002000020004000000000000002000000000000000000000000000000000000000000000000000000000000000000000000000000000010000000000000000000000000000000100000000000000000400000000000000000000000000000000</structure-fingerprint> <structure-pattern-fingerprint>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</structure-pattern-fingerprint> <structure-pickle type="binary" encoding="base64">776t3gAAAAAQAAAAAwAAAAAAAAAOAAAADgAAAIABBgBgAAAAAQMGAGAAAAAD AQYAYAAAAAEDBgBgAAAAAgIGACgAAAADBAgAKAAAAAMCCAAoAAAAAwIGAGAA AAACAgYAYAAAAAMBBgBgAAAAAgIGAGAAAAACAgYAYAAAAAICBgBgAAAAAgIG AGAAAAACAgsAAQABAgABAwADBAAEBSgCBAYgBgcABwgACAkACQoACgsACwwA DA0ADQgAQgEAAAAGCA0MCwoJFwQAAAAAAAAAFg== </structure-pickle> <structure-indexed-at type="dateTime">2026-09-19T04:19:16Z</structure-indexed-at> </compound>