11725 <common-name>Benzene, 1,1'-ethylidenebis[3,4-dimethyl-</common-name> <description>Benzene, 1,1'-ethylidenebis[3,4-dimethyl- belongs to the sesquiterpenoids, a subclass of prenol lipids within the organic compounds. This compound has the formula C18H22 and an average molecular weight of 238.37 g/mol. It is further classified under the superclass of lipids and lipid-like molecules.</description> <cas>1742-14-9</cas> <pubchem-id>74448</pubchem-id> <chemical-formula>C18H22</chemical-formula> <weight>238.4</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">2016-05-19T03:25:29Z</created-at> <updated-at type="dateTime">2026-08-20T00:43:48Z</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(C1=CC=C(C)C(C)=C1)C1=CC=C(C)C(C)=C1</moldb-smiles> <moldb-formula>C18H22</moldb-formula> <moldb-inchi>InChI=1S/C18H22/c1-12-6-8-17(10-14(12)3)16(5)18-9-7-13(2)15(4)11-18/h6-11,16H,1-5H3</moldb-inchi> <moldb-inchikey>NCSVCMFDHINRJE-UHFFFAOYSA-N</moldb-inchikey> <moldb-average-mass type="decimal">238.374</moldb-average-mass> <moldb-mono-mass type="decimal">238.172150708</moldb-mono-mass> <origin nil="true"/> <state nil="true"/> <logp>5.6</logp> <hmdb-id nil="true"/> <chembl-id nil="true"/> <chemspider-id>67039</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>CHEM010620</chemdb-id> <dsstox-id>DTXSID9029223</dsstox-id> <toxcast-id nil="true"/> <stoff-ident-origin nil="true"/> <stoff-ident-id nil="true"/> <susdat-id>NS00005809</susdat-id> <iupac>4-[1-(3,4-dimethylphenyl)ethyl]-1,2-dimethylbenzene</iupac> <moldb-polar-surface-area>0.0</moldb-polar-surface-area> <moldb-refractivity>80.50859999999999</moldb-refractivity> <moldb-polarizability>29.944999939519</moldb-polarizability> <moldb-rotatable-bond-count>2</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>6.37</moldb-alogps-logp> <moldb-alogps-logs>-6.15</moldb-alogps-logs> <moldb-alogps-solubility>1.67e-04 g/l</moldb-alogps-solubility> <kingdom>Organic compounds</kingdom> <superklass>Lipids and lipid-like molecules</superklass> <klass>Prenol lipids</klass> <subklass>Sesquiterpenoids</subklass> <paper-count type="integer">0</paper-count> <sync-id>CED0168378</sync-id> <structure-inchikey>NCSVCMFDHINRJE-UHFFFAOYSA-N</structure-inchikey> <structure-fingerprint>40000000000000000000000000000000000000000000000000000000000000000000001000000000000000000000000000000000000000000000000000000100000000000000000000000000000000000000000200000000000000000000000001000000000000000000000000100000000000000000000000000000000000000000000040000000000000000000000000000000000000000000000000000040000000000000000000000400080100000000000000000000000000000000000000000000000000000000000000000000000000100000002000000200000000020000000000000004000040000000000000000800000000000000000000000000</structure-fingerprint> 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