345680 <common-name>4-methylheptan-3-yl octadecanoate</common-name> <description>4-methylheptan-3-yl octadecanoate is a chemical compound with the formula C26H52O2. It has an average molecular weight of 396.70 g/mol.</description> <cas nil="true"/> <pubchem-id>56936033</pubchem-id> <chemical-formula>C26H52O2</chemical-formula> <weight>396.7</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">2026-08-31T08:37:07Z</created-at> <updated-at type="dateTime">2026-08-31T08:37:07Z</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>CCCCCCCCCCCCCCCCCC(=O)OC(CC)C(C)CCC</moldb-smiles> <moldb-formula>C26H52O2</moldb-formula> <moldb-inchi>InChI=1S/C26H52O2/c1-5-8-9-10-11-12-13-14-15-16-17-18-19-20-21-23-26(27)28-25(7-3)24(4)22-6-2/h24-25H,5-23H2,1-4H3</moldb-inchi> <moldb-inchikey>OEFSJNQHBJUFFJ-UHFFFAOYSA-N</moldb-inchikey> <moldb-average-mass type="decimal" nil="true"/> <moldb-mono-mass type="decimal">396.3967309</moldb-mono-mass> <origin nil="true"/> <state nil="true"/> <logp>11.7</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>CHEM341573</chemdb-id> <dsstox-id nil="true"/> <toxcast-id nil="true"/> <stoff-ident-origin nil="true"/> <stoff-ident-id nil="true"/> <susdat-id nil="true"/> <iupac>4-methylheptan-3-yl octadecanoate</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" nil="true"/> <sync-id>CED0296036</sync-id> <structure-inchikey>OEFSJNQHBJUFFJ-UHFFFAOYSA-N</structure-inchikey> <structure-fingerprint>40000000000000000400800000000000000000000000000000000000000000000000001002000000000000000000000000000000000000000000000000000000000000000000000000010000000000000020000000000100000000001000000000000020010000000000000000000000000000000000000000000000000000000000000040000000000000000000010000000000002000000000000100401000000000000000000000000000003001000000000048000000000000000000000000800008000000000000000000000000000000000000000000000000000000480000000080000000000000000000010402000000000000000000000000000000</structure-fingerprint> <structure-pattern-fingerprint>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</structure-pattern-fingerprint> <structure-pickle type="binary" encoding="base64">776t3gAAAAAQAAAAAwAAAAAAAAAcAAAAGwAAAIABBgBgAAAAAQMGAGAAAAAC AgYAYAAAAAICBgBgAAAAAgIGAGAAAAACAgYAYAAAAAICBgBgAAAAAgIGAGAA AAACAgYAYAAAAAICBgBgAAAAAgIGAGAAAAACAgYAYAAAAAICBgBgAAAAAgIG AGAAAAACAgYAYAAAAAICBgBgAAAAAgIGAGAAAAACAgYAKAAAAAMECAAoAAAA AwIIACgAAAADAgYAYAAAAAMBBgBgAAAAAgIGAGAAAAABAwYAYAAAAAMBBgBg AAAAAQMGAGAAAAACAgYAYAAAAAICBgBgAAAAAQMLAAEAAQIAAgMAAwQABAUA BQYABgcABwgACAkACQoACgsACwwADA0ADQ4ADg8ADxAAEBEAERIoAhETIBMU ABQVABUWABQXABcYABcZABkaABobAEIAAAAAFwQAAAAAAAAAFg== </structure-pickle> <structure-indexed-at type="dateTime">2026-09-19T05:44:39Z</structure-indexed-at> </compound>