47329 <common-name>2,3,6,7-tetramethylnaphthalene</common-name> <description>2,3,6,7-tetramethylnaphthalene belongs to the naphthalenes, a class of benzenoids within the organic compounds. This compound has the chemical formula C14H16 and an average molecular weight of 184.28 g/mol.</description> <cas>1134-40-3</cas> <pubchem-id>70812</pubchem-id> <chemical-formula>C14H16</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">2016-10-28T19:07:06Z</created-at> <updated-at type="dateTime">2026-04-03T12:31:30Z</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>CC1=CC2=CC(C)=C(C)C=C2C=C1C</moldb-smiles> <moldb-formula>C14H16</moldb-formula> <moldb-inchi>InChI=1S/C14H16/c1-9-5-13-7-11(3)12(4)8-14(13)6-10(9)2/h5-8H,1-4H3</moldb-inchi> <moldb-inchikey>QYEOHOUFXNEWEI-UHFFFAOYSA-N</moldb-inchikey> <moldb-average-mass type="decimal">184.282</moldb-average-mass> <moldb-mono-mass type="decimal">184.125200515</moldb-mono-mass> <origin nil="true"/> <state nil="true"/> <logp nil="true"/> <hmdb-id nil="true"/> <chembl-id nil="true"/> <chemspider-id>63977</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>CHEM046224</chemdb-id> <dsstox-id>DTXSID00150397</dsstox-id> <toxcast-id nil="true"/> <stoff-ident-origin nil="true"/> <stoff-ident-id nil="true"/> <susdat-id>NS00023686</susdat-id> <iupac nil="true"/> <moldb-polar-surface-area>0.0</moldb-polar-surface-area> <moldb-refractivity>62.672999999999995</moldb-refractivity> <moldb-polarizability>23.28000893461234</moldb-polarizability> <moldb-rotatable-bond-count>0</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 nil="true"/> <moldb-physiological-charge>0</moldb-physiological-charge> <moldb-number-of-rings>2</moldb-number-of-rings> <moldb-alogps-logp>5.28</moldb-alogps-logp> <moldb-alogps-logs>-5.57</moldb-alogps-logs> <moldb-alogps-solubility>4.92e-04 g/l</moldb-alogps-solubility> <kingdom>Organic compounds</kingdom> <superklass>Benzenoids</superklass> <klass>Naphthalenes</klass> <subklass nil="true"/> <paper-count type="integer">2</paper-count> <sync-id>CED0055706</sync-id> <structure-inchikey>QYEOHOUFXNEWEI-UHFFFAOYSA-N</structure-inchikey> <structure-fingerprint>100000000000000000000000000000000000000000000040000000000000000000000000000000000000000000000000000040000000000000000000000000080100000000000000000000000000000000000000000000000000000000000000000000000000000000002000000000000000000000000000000001000040000000000000048000000000000000000000000000</structure-fingerprint> <structure-pattern-fingerprint>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</structure-pattern-fingerprint> <structure-pickle>ï¾­Þ������������������������€���`������@(������@h�������@(������@h�������@(�������`������@(�������`������@h�������@(������@h�������@(�������`�����������h���h���h���h������h����� h� h� �h���h�� ���h� �h�B�������� ������ �����������</structure-pickle> <structure-indexed-at type="dateTime">2026-09-19T04:14:01Z</structure-indexed-at> </compound>