15798 <common-name>Heptanoic acid, oxybis(2,1-ethanediyloxy-2,1-ethanediyl) ester</common-name> <description nil="true"/> <cas>70729-68-9</cas> <pubchem-id>51154</pubchem-id> <chemical-formula>C22H42O7</chemical-formula> <weight>418.6</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">2016-05-19T04:34:20Z</created-at> <updated-at type="dateTime">2026-04-16T22:54:47Z</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>CCCCCCC(=O)OCCOCCOCCOCCOC(=O)CCCCCC</moldb-smiles> <moldb-formula>C22H42O7</moldb-formula> <moldb-inchi>InChI=1S/C22H42O7/c1-3-5-7-9-11-21(23)28-19-17-26-15-13-25-14-16-27-18-20-29-22(24)12-10-8-6-4-2/h3-20H2,1-2H3</moldb-inchi> <moldb-inchikey>SSKNCQWPZQCABD-UHFFFAOYSA-N</moldb-inchikey> <moldb-average-mass type="decimal">418.571</moldb-average-mass> <moldb-mono-mass type="decimal">418.293053692</moldb-mono-mass> <origin nil="true"/> <state nil="true"/> <logp nil="true"/> <hmdb-id nil="true"/> <chembl-id nil="true"/> <chemspider-id>46358</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>CHEM014693</chemdb-id> <dsstox-id>DTXSID6028995</dsstox-id> <toxcast-id nil="true"/> <stoff-ident-origin nil="true"/> <stoff-ident-id nil="true"/> <susdat-id>NS00013951</susdat-id> <iupac nil="true"/> <moldb-polar-surface-area>80.29000000000002</moldb-polar-surface-area> <moldb-refractivity>112.04889999999996</moldb-refractivity> <moldb-polarizability>51.62889450588199</moldb-polarizability> <moldb-rotatable-bond-count>24</moldb-rotatable-bond-count> <moldb-acceptor-count>5</moldb-acceptor-count> <moldb-donor-count>0</moldb-donor-count> <moldb-pka-strongest-acidic nil="true"/> <moldb-pka-strongest-basic>-3.6773913207545603</moldb-pka-strongest-basic> <moldb-physiological-charge>0</moldb-physiological-charge> <moldb-number-of-rings>0</moldb-number-of-rings> <moldb-alogps-logp>4.99</moldb-alogps-logp> <moldb-alogps-logs>-5.32</moldb-alogps-logs> <moldb-alogps-solubility>2.01e-03 g/l</moldb-alogps-solubility> </compound>