354534 <common-name>[(2s)-2-ethylhexyl] (1r,2s,5s)-5-[8-[(2s)-2-ethylhexoxy]-8-oxooctyl]-2-hexylcyclohexane-1-carboxylate</common-name> <description>[(2s)-2-ethylhexyl] (1r,2s,5s)-5-[8-[(2s)-2-ethylhexoxy]-8-oxooctyl]-2-hexylcyclohexane-1-carboxylate is a chemical compound with the formula C37H70O4. With an average molecular weight of 578.90 g/mol, [(2s)-2-ethylhexyl] (1r,2s,5s)-5-[8-[(2s)-2-ethylhexoxy]-8-oxooctyl]-2-hexylcyclohexane-1-carboxylate is a heavy molecule.</description> <cas>72245-39-7</cas> <pubchem-id>3085767</pubchem-id> <chemical-formula>C37H70O4</chemical-formula> <weight>578.9</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">2026-08-31T22:08:25Z</created-at> <updated-at type="dateTime">2026-08-31T22:08:25Z</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>CCCCCCC1CCC(CC1C(=O)OCC(CC)CCCC)CCCCCCCC(=O)OCC(CC)CCCC</moldb-smiles> <moldb-formula>C37H70O4</moldb-formula> <moldb-inchi>InChI=1S/C37H70O4/c1-6-11-14-19-24-34-27-26-33(28-35(34)37(39)41-30-32(10-5)22-13-8-3)23-18-16-15-17-20-25-36(38)40-29-31(9-4)21-12-7-2/h31-35H,6-30H2,1-5H3/t31-,32-,33-,34-,35+/m0/s1</moldb-inchi> <moldb-inchikey>BZEHQVOONDIRHV-PRTBYXSSSA-N</moldb-inchikey> <moldb-average-mass type="decimal" nil="true"/> <moldb-mono-mass type="decimal">578.5274107</moldb-mono-mass> <origin nil="true"/> <state nil="true"/> <logp>14.2</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>CHEM350427</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>[(2s)-2-ethylhexyl] (1r,2s,5s)-5-[8-[(2s)-2-ethylhexoxy]-8-oxooctyl]-2-hexylcyclohexane-1-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>Lipids and lipid-like molecules</superklass> <klass>Fatty Acyls</klass> <subklass>Fatty acid esters</subklass> <paper-count type="integer" nil="true"/> <sync-id>CED0304816</sync-id> <structure-inchikey>BZEHQVOONDIRHV-UHFFFAOYSA-N</structure-inchikey> <structure-fingerprint>40000004000000000000800000000200000010000000000200044000200000000000000002000000000200000000000010000008000000000000000000000000000002000000000000010000000000000020000004000100008000401020000000000020010000008000000000080000100000020000000000000000000000100000000040000000000000000040010000000000000000002000000000001000000800000004800000000000002001000008000008000000000000000000000000800008000000000400000000000000010000000000000000000000000000000000200000000000000000000000010400000000000000000200000000000000</structure-fingerprint> <structure-pattern-fingerprint>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</structure-pattern-fingerprint> <structure-pickle>ï¾­Þ����������������)���)���€���`�������`�������`�������`�������`�������`�������`�������`�������`�������`�������`�������`�������(�������(�������(�������`�������`�������`�������`�������`�������`�������`�������`�������`�������`�������`�������`�������`�������`�������`�������(�������(�������(�������`�������`�������`�������`�������`�������`�������`�������`������������������������������� � � ������ (��� ������������������������ �������������������������(�� !�!"�"#�#$�"%�%&�&'�'(����B������� ������������</structure-pickle> <structure-indexed-at type="dateTime">2026-09-19T05:52:29Z</structure-indexed-at> </compound>