78901 <common-name>Benzene, 1,4-bis(1,1-dimethylethyl)-2,5-dimethoxy-</common-name> <description>Benzene, 1,4-bis(1,1-dimethylethyl)-2,5-dimethoxy- belongs to the methoxybenzenes, a subclass of benzene and substituted derivatives within the organic compounds. This benzenoid compound has the chemical formula C16H26O2 and an average molecular weight of 250.38 g/mol.</description> <cas>7323-63-9</cas> <pubchem-id>138995</pubchem-id> <chemical-formula>C16H26O2</chemical-formula> <weight>250.38</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">2026-04-04T13:19:38Z</created-at> <updated-at type="dateTime">2026-08-19T17:30:41Z</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>COC1=CC(=C(OC)C=C1C(C)(C)C)C(C)(C)C</moldb-smiles> <moldb-formula>C16H26O2</moldb-formula> <moldb-inchi>InChI=1S/C16H26O2/c1-15(2,3)11-9-14(18-8)12(16(4,5)6)10-13(11)17-7/h9-10H,1-8H3</moldb-inchi> <moldb-inchikey>ATGCJUULFWEWPY-UHFFFAOYSA-N</moldb-inchikey> <moldb-average-mass type="decimal">250.382</moldb-average-mass> <moldb-mono-mass type="decimal">250.19328</moldb-mono-mass> <origin nil="true"/> <state nil="true"/> <logp>5.2</logp> <hmdb-id nil="true"/> <chembl-id nil="true"/> <chemspider-id>122588</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>CHEM074794</chemdb-id> <dsstox-id>DTXSID8074782</dsstox-id> <toxcast-id nil="true"/> <stoff-ident-origin nil="true"/> <stoff-ident-id nil="true"/> <susdat-id>NS00037482</susdat-id> <iupac>1,4-ditert-butyl-2,5-dimethoxybenzene</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>Benzenoids</superklass> <klass>Benzene and substituted derivatives</klass> <subklass>Methoxybenzenes</subklass> <paper-count type="integer">0</paper-count> <sync-id>CED0096396</sync-id> <structure-inchikey>ATGCJUULFWEWPY-UHFFFAOYSA-N</structure-inchikey> <structure-fingerprint>2000000000000000000000000000000000400000000000000000000000000000000000800000100000000000000000000000000000000000000000000000000000000000000000000100000000000000000000000000000000000040000000100000000000000000000000000000000000000000000040000000000000000000000000000000000000000000000000000000000000000000001000000000080000000100000000000000000000200000800080000000000000000000000000000000000000000000000000200000000000000000000000000000000040000000000000000000000020000000000000000000</structure-fingerprint> <structure-pattern-fingerprint>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</structure-pattern-fingerprint> <structure-pickle>ï¾­Þ������������������������€���`�������(������@(������@h�������@(������@(�������(�������`������@h�������@(������� ������`�������`�������`������� ������`�������`�������`����������� ��h���h���h��� �����h�� h� � �� �� ������������� �h�B������ ��������������</structure-pickle> <structure-indexed-at type="dateTime">2026-09-19T04:26:16Z</structure-indexed-at> </compound>