324907 <common-name>5-(diethylamino)pentyl (e)-4-(3a,4,5,6,7,7a-hexahydro-1,3-benzodioxol-5-yl)but-2-enoate</common-name> <description>5-(diethylamino)pentyl (e)-4-(3a,4,5,6,7,7a-hexahydro-1,3-benzodioxol-5-yl)but-2-enoate is a chemical compound with the formula C20H35NO4. It has an average molecular weight of 353.50 g/mol.</description> <cas nil="true"/> <pubchem-id>6435276</pubchem-id> <chemical-formula>C20H35NO4</chemical-formula> <weight>353.5</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">2026-08-30T02:24:59Z</created-at> <updated-at type="dateTime">2026-08-30T02:24:59Z</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>CCN(CC)CCCCCOC(=O)C=CCC1CCC2C(C1)OCO2</moldb-smiles> <moldb-formula>C20H35NO4</moldb-formula> <moldb-inchi>InChI=1S/C20H35NO4/c1-3-21(4-2)13-6-5-7-14-23-20(22)10-8-9-17-11-12-18-19(15-17)25-16-24-18/h8,10,17-19H,3-7,9,11-16H2,1-2H3/b10-8+</moldb-inchi> <moldb-inchikey>BRIVFQMQWVGBPZ-CSKARUKUSA-N</moldb-inchikey> <moldb-average-mass type="decimal" nil="true"/> <moldb-mono-mass type="decimal">353.2566086</moldb-mono-mass> <origin nil="true"/> <state nil="true"/> <logp>3.5</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>CHEM320800</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>5-(diethylamino)pentyl (e)-4-(3a,4,5,6,7,7a-hexahydro-1,3-benzodioxol-5-yl)but-2-enoate</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>CED0275553</sync-id> <structure-inchikey>BRIVFQMQWVGBPZ-UHFFFAOYSA-N</structure-inchikey> <structure-fingerprint>c0005000000000000800000000000000010000000000000000000000000100000000002000000000000000100000000000000000000000000000000000000000000000000000100040000000800000020800000000300000000000000000000000000210000000000000000004000000000020800000400000000000000100000000040004000000000000000010002000000000000000040000040000000800800000004000004080000000000000000000000000000000000000000000000000000000408000000001000000000050000000000000003000000000000000000101000000000000000000000010400000001000000040000800000000000</structure-fingerprint> <structure-pattern-fingerprint>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</structure-pattern-fingerprint> <structure-pickle>ï¾­Þ������������������������€���`�������`������� ������`�������`�������`�������`�������`�������`�������`�������(�������(�������(�������h��������h��������`�������`�������`�������`�������`�������`�������`������� ������`������� ������������������������������ � � � ��(�� �(�������������������������������������B���������������������������</structure-pickle> <structure-indexed-at type="dateTime">2026-09-19T05:28:56Z</structure-indexed-at> </compound>