12470 <common-name>Hexanedioic acid, diisotridecyl ester</common-name> <description nil="true"/> <cas>26401-35-4</cas> <pubchem-id>94369</pubchem-id> <chemical-formula>C32H62O4</chemical-formula> <weight>510.8</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">2016-05-19T03:37:34Z</created-at> <updated-at type="dateTime">2026-04-17T16:24:39Z</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>CC(C)CCCCCCCCCCOC(=O)CCCCC(=O)OCCCCCCCCCCC(C)C</moldb-smiles> <moldb-formula>C32H62O4</moldb-formula> <moldb-inchi>InChI=1S/C32H62O4/c1-29(2)23-17-13-9-5-7-11-15-21-27-35-31(33)25-19-20-26-32(34)36-28-22-16-12-8-6-10-14-18-24-30(3)4/h29-30H,5-28H2,1-4H3</moldb-inchi> <moldb-inchikey>WPUKZOKYKHYASK-UHFFFAOYSA-N</moldb-inchikey> <moldb-average-mass type="decimal">510.844</moldb-average-mass> <moldb-mono-mass type="decimal">510.464810476</moldb-mono-mass> <origin nil="true"/> <state nil="true"/> <logp nil="true"/> <hmdb-id nil="true"/> <chembl-id nil="true"/> <chemspider-id>85165</chemspider-id> <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>CHEM011365</chemdb-id> <dsstox-id>DTXSID6067206</dsstox-id> <toxcast-id nil="true"/> <stoff-ident-origin>REACH</stoff-ident-origin> <stoff-ident-id>SI00006269</stoff-ident-id> <susdat-id>NS00001943</susdat-id> <iupac nil="true"/> <moldb-polar-surface-area>52.60000000000001</moldb-polar-surface-area> <moldb-refractivity>152.73760000000004</moldb-refractivity> <moldb-polarizability>68.64406295533934</moldb-polarizability> <moldb-rotatable-bond-count>29</moldb-rotatable-bond-count> <moldb-acceptor-count>2</moldb-acceptor-count> <moldb-donor-count>0</moldb-donor-count> <moldb-pka-strongest-acidic nil="true"/> <moldb-pka-strongest-basic>-6.731700042394165</moldb-pka-strongest-basic> <moldb-physiological-charge>0</moldb-physiological-charge> <moldb-number-of-rings>0</moldb-number-of-rings> <moldb-alogps-logp>9.69</moldb-alogps-logp> <moldb-alogps-logs>-7.56</moldb-alogps-logs> <moldb-alogps-solubility>1.41e-05 g/l</moldb-alogps-solubility> </compound>