45290 <common-name>1-(2,4,4-trimethylpentan-2-yl)-4-[4-(2,4,4-trimethylpentan-2-yl)phenoxy]benzene</common-name> <description nil="true"/> <cas>61702-88-3</cas> <pubchem-id>66867</pubchem-id> <chemical-formula>C28H42O</chemical-formula> <weight>394.6</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">2016-06-03T11:51:18Z</created-at> <updated-at type="dateTime">2026-04-17T17:58:57Z</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)(C)CC(C)(C)C1=CC=C(OC2=CC=C(C=C2)C(C)(C)CC(C)(C)C)C=C1</moldb-smiles> <moldb-formula>C28H42O</moldb-formula> <moldb-inchi>InChI=1S/C28H42O/c1-25(2,3)19-27(7,8)21-11-15-23(16-12-21)29-24-17-13-22(14-18-24)28(9,10)20-26(4,5)6/h11-18H,19-20H2,1-10H3</moldb-inchi> <moldb-inchikey>AJDONJVWDSZZQF-UHFFFAOYSA-N</moldb-inchikey> <moldb-average-mass type="decimal">394.643</moldb-average-mass> <moldb-mono-mass type="decimal">394.323565972</moldb-mono-mass> <origin nil="true"/> <state nil="true"/> <logp nil="true"/> <hmdb-id nil="true"/> <chembl-id nil="true"/> <chemspider-id>60230</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>CHEM044185</chemdb-id> <dsstox-id>DTXSID90890912</dsstox-id> <toxcast-id nil="true"/> <stoff-ident-origin>www.chemicalize.org</stoff-ident-origin> <stoff-ident-id>SI00005269</stoff-ident-id> <susdat-id>NS00003188</susdat-id> <iupac nil="true"/> <moldb-polar-surface-area>9.23</moldb-polar-surface-area> <moldb-refractivity>126.08199999999997</moldb-refractivity> <moldb-polarizability>48.83831451677521</moldb-polarizability> <moldb-rotatable-bond-count>8</moldb-rotatable-bond-count> <moldb-acceptor-count>0</moldb-acceptor-count> <moldb-donor-count>0</moldb-donor-count> <moldb-pka-strongest-acidic nil="true"/> <moldb-pka-strongest-basic>-3.681879675782399</moldb-pka-strongest-basic> <moldb-physiological-charge>0</moldb-physiological-charge> <moldb-number-of-rings>2</moldb-number-of-rings> <moldb-alogps-logp>9.13</moldb-alogps-logp> <moldb-alogps-logs>-7.41</moldb-alogps-logs> <moldb-alogps-solubility>1.52e-05 g/l</moldb-alogps-solubility> </compound>