345644 <common-name>[2-(2-ethylhexanoyloxymethyl)-3-hydroxy-2-[[3-hydroxy-2,2-bis(hydroxymethyl)propoxy]methyl]propyl] octanoate</common-name> <description>[2-(2-ethylhexanoyloxymethyl)-3-hydroxy-2-[[3-hydroxy-2,2-bis(hydroxymethyl)propoxy]methyl]propyl] octanoate is a chemical compound with the formula C26H50O9. With an average molecular weight of 506.70 g/mol, [2-(2-ethylhexanoyloxymethyl)-3-hydroxy-2-[[3-hydroxy-2,2-bis(hydroxymethyl)propoxy]methyl]propyl] octanoate is a heavy molecule.</description> <cas nil="true"/> <pubchem-id>6455989</pubchem-id> <chemical-formula>C26H50O9</chemical-formula> <weight>506.7</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">2026-08-31T08:34:25Z</created-at> <updated-at type="dateTime">2026-08-31T08:34:25Z</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>CCCCCCCC(=O)OCC(CO)(COCC(CO)(CO)CO)COC(=O)C(CC)CCCC</moldb-smiles> <moldb-formula>C26H50O9</moldb-formula> <moldb-inchi>InChI=1S/C26H50O9/c1-4-7-9-10-11-13-23(31)34-20-26(17-30,19-33-18-25(14-27,15-28)16-29)21-35-24(32)22(6-3)12-8-5-2/h22,27-30H,4-21H2,1-3H3</moldb-inchi> <moldb-inchikey>GIZZSZWHHAZXJB-UHFFFAOYSA-N</moldb-inchikey> <moldb-average-mass type="decimal" nil="true"/> <moldb-mono-mass type="decimal">506.3454832</moldb-mono-mass> <origin nil="true"/> <state nil="true"/> <logp>3.2</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>CHEM341537</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>[2-(2-ethylhexanoyloxymethyl)-3-hydroxy-2-[[3-hydroxy-2,2-bis(hydroxymethyl)propoxy]methyl]propyl] octanoate</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>CED0296000</sync-id> <structure-inchikey>GIZZSZWHHAZXJB-UHFFFAOYSA-N</structure-inchikey> <structure-fingerprint>40000000002000000000800000003000000010000000000000400002000000000000000002000000000000000000000000880000000000000000000001000000000000000000000000050000000000000220008004000100000000001000000000000020010000000000000000000000000000000000000000000000000000000000000040000000000000000000010000000000000000000000000000001000000000000000800000000000022001000000000008040000000400000000000000800008000000000000000000800000000000000000000000000000000000000000000000000000000004000000010400008000000000000080000000000000</structure-fingerprint> 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