46130 <common-name>pentyl 2,5-bis[(4-[[6-(acryloyloxy)hexyl]oxy]benzoyl)oxy]benzoate</common-name> <description nil="true"/> <cas nil="true"/> <pubchem-id>18720617</pubchem-id> <chemical-formula>C44H52O12</chemical-formula> <weight nil="true"/> <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">2016-06-03T12:46:25Z</created-at> <updated-at type="dateTime">2026-03-26T20:39:25Z</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>CCCCCOC(=O)C1=C(OC(=O)C2=CC=C(OCCCCCCOC(=O)C=C)C=C2)C=CC(OC(=O)C2=CC=C(OCCCCCCOC(=O)C=C)C=C2)=C1</moldb-smiles> <moldb-formula>C44H52O12</moldb-formula> <moldb-inchi>InChI=1S/C44H52O12/c1-4-7-12-31-54-44(49)38-32-37(55-42(47)33-17-21-35(22-18-33)50-27-13-8-10-15-29-52-40(45)5-2)25-26-39(38)56-43(48)34-19-23-36(24-20-34)51-28-14-9-11-16-30-53-41(46)6-3/h5-6,17-26,32H,2-4,7-16,27-31H2,1H3</moldb-inchi> <moldb-inchikey>SHICTRDFWAFZJP-UHFFFAOYSA-N</moldb-inchikey> <moldb-average-mass type="decimal">772.888</moldb-average-mass> <moldb-mono-mass type="decimal">772.345877114</moldb-mono-mass> <origin nil="true"/> <state nil="true"/> <logp nil="true"/> <hmdb-id nil="true"/> <chembl-id nil="true"/> <chemspider-id>18971363</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>CHEM045025</chemdb-id> <dsstox-id nil="true"/> <toxcast-id nil="true"/> <stoff-ident-origin>REACH</stoff-ident-origin> <stoff-ident-id>SI00007107</stoff-ident-id> <susdat-id>NS00002940</susdat-id> <iupac nil="true"/> <moldb-polar-surface-area>149.95999999999998</moldb-polar-surface-area> <moldb-refractivity>210.69710000000006</moldb-refractivity> <moldb-polarizability>89.12489890554733</moldb-polarizability> <moldb-rotatable-bond-count>32</moldb-rotatable-bond-count> <moldb-acceptor-count>7</moldb-acceptor-count> <moldb-donor-count>0</moldb-donor-count> <moldb-pka-strongest-acidic nil="true"/> <moldb-pka-strongest-basic>-4.55131768964869</moldb-pka-strongest-basic> <moldb-physiological-charge>0</moldb-physiological-charge> <moldb-number-of-rings>3</moldb-number-of-rings> <moldb-alogps-logp>7.58</moldb-alogps-logp> <moldb-alogps-logs>-7.17</moldb-alogps-logs> <moldb-alogps-solubility>5.23e-05 g/l</moldb-alogps-solubility> </compound>