<?xml version="1.0" encoding="UTF-8"?>
<compound>
  <id type="integer">355477</id>
  <title nil="true"/>
  <common-name>[3-[4-[(3-dodecanoyloxy-2,2-dimethylpropylidene)amino]phenyl]imino-2,2-dimethylpropyl] dodecanoate</common-name>
  <description>[3-[4-[(3-dodecanoyloxy-2,2-dimethylpropylidene)amino]phenyl]imino-2,2-dimethylpropyl] dodecanoate is a chemical compound with the formula C40H68N2O4. With an average molecular weight of 641.00 g/mol, [3-[4-[(3-dodecanoyloxy-2,2-dimethylpropylidene)amino]phenyl]imino-2,2-dimethylpropyl] dodecanoate is a heavy molecule.</description>
  <cas>1154521-93-3</cas>
  <pubchem-id>68509823</pubchem-id>
  <chemical-formula>C40H68N2O4</chemical-formula>
  <weight>641</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">2026-09-01T00:01:40Z</created-at>
  <updated-at type="dateTime">2026-09-01T00:01:40Z</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>CCCCCCCCCCCC(=O)OCC(C)(C)C=NC1=CC=C(C=C1)N=CC(C)(C)COC(=O)CCCCCCCCCCC</moldb-smiles>
  <moldb-formula>C40H68N2O4</moldb-formula>
  <moldb-inchi>InChI=1S/C40H68N2O4/c1-7-9-11-13-15-17-19-21-23-25-37(43)45-33-39(3,4)31-41-35-27-29-36(30-28-35)42-32-40(5,6)34-46-38(44)26-24-22-20-18-16-14-12-10-8-2/h27-32H,7-26,33-34H2,1-6H3</moldb-inchi>
  <moldb-inchikey>YIDAJHZSLYLUJW-UHFFFAOYSA-N</moldb-inchikey>
  <moldb-average-mass type="decimal" nil="true"/>
  <moldb-mono-mass type="decimal">640.5179087</moldb-mono-mass>
  <origin nil="true"/>
  <state nil="true"/>
  <logp>13</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>CHEM351370</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>[3-[4-[(3-dodecanoyloxy-2,2-dimethylpropylidene)amino]phenyl]imino-2,2-dimethylpropyl] dodecanoate</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>CED0305729</sync-id>
  <structure-inchikey>YIDAJHZSLYLUJW-UHFFFAOYSA-N</structure-inchikey>
  <structure-fingerprint>8000000020000000100000000000002000000000000000000000020000000000000000000000008000000000000000000000010000000000000000000000000100000000080000200000040003000000040000000000000000200100000000000000000000000000000000000008000000002010000000000000400000000000000000000100000000000000000000000000000010000000000000000000000000000a2001000000000008000000000040000200000000000008000000000002000000000000000000000000000000000200000000000000000000000002000040000000010400000000000000000004000000000000</structure-fingerprint>
  <structure-pattern-fingerprint>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</structure-pattern-fingerprint>
  <structure-pickle>ï¾­Þ����������������.���.���€���`�������`�������`�������`�������`�������`�������`�������`�������`�������`�������`�������(�������(�������(�������`������� ������`�������`�������h��������(������@(������@h�������@h�������@(������@h�������@h��������(�������h�������� ������`�������`�������`�������(�������(�������(�������`�������`�������`�������`�������`�������`�������`�������`�������`�������`�������`�������������������������������	�	
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  <structure-indexed-at type="dateTime">2026-09-19T05:53:23Z</structure-indexed-at>
</compound>
