95835 <common-name>Bis(1,1-dimethylpropyl)naphthalene</common-name> <description>Bis(1,1-dimethylpropyl)naphthalene belongs to the naphthalenes, a class of benzenoids within the organic compounds. This compound has the chemical formula C20H28 and an average molecular weight of 268.44 g/mol.</description> <cas>50696-42-9</cas> <pubchem-id>170892</pubchem-id> <chemical-formula>C20H28</chemical-formula> <weight>268.4</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">2026-04-05T03:44:15Z</created-at> <updated-at type="dateTime">2026-08-30T01:05:47Z</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>CCC(C)(C)C1=CC=CC2=C1C=CC=C2C(C)(C)CC</moldb-smiles> <moldb-formula>C20H28</moldb-formula> <moldb-inchi>InChI=1/C20H28/c1-7-19(3,4)17-14-13-15-11-9-10-12-16(15)18(17)20(5,6)8-2/h9-14H,7-8H2,1-6H3</moldb-inchi> <moldb-inchikey>IJAPRTGBEXDTEZ-UHFFFAOYSA-N</moldb-inchikey> <moldb-average-mass type="decimal">268.444</moldb-average-mass> <moldb-mono-mass type="decimal">268.2191009</moldb-mono-mass> <origin nil="true"/> <state nil="true"/> <logp>7.6</logp> <hmdb-id nil="true"/> <chembl-id nil="true"/> <chemspider-id nil="true"/> <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>CHEM091728</chemdb-id> <dsstox-id>DTXSID70964928</dsstox-id> <toxcast-id nil="true"/> <stoff-ident-origin nil="true"/> <stoff-ident-id nil="true"/> <susdat-id>NS00057855</susdat-id> <iupac>1,2-bis(2-methylbutan-2-yl)naphthalene</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>Naphthalenes</klass> <subklass nil="true"/> <paper-count type="integer">0</paper-count> <sync-id>CED0114521</sync-id> <structure-inchikey>ZXPFBIRSCMLDLS-UHFFFAOYSA-N</structure-inchikey> <structure-fingerprint>800000002000000000000000000000000000000000000002000003000000000000000000000000800000100000000000000000000000200000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000010000000000000000000000000000001000040000000800000000000000000000000000000000000000000000000000000000000000000040000080000000000000000000000000000000000000000000000040000200000000000000000000000000000000000000200000000000000000000000000000040000000000000000000000000000000000000000004</structure-fingerprint> <structure-pattern-fingerprint>501440108102824080000b60010820000000140001052000003520408220084c44220010138000000100410800c0800004200224c08c36010022643900a04000c7110c001280040000901040026a02000804858055201f3240040462400240040c2804270048020040000400cc940000208680500101c0041108204002510012004000084cd0820808060240882c0008191c0812448016820000080000c00080000110000010c00002000940017c25100ac0000289410848108042100cc00212a00000a404900013018000801411028004010010030050000d000200080003009010081000010000000004015112208000100430804200061100100052000002</structure-pattern-fingerprint> <structure-pickle type="binary" encoding="base64">776t3gAAAAAQAAAAAwAAAAAAAAAUAAAAFQAAAIABBgBgAAAAAQMGAGAAAAAC AgYAIAAAAAQGAGAAAAABAwYAYAAAAAEDBkAoAAAAAwQGQGgAAAADAwEGQGgA AAADAwEGQGgAAAADAwEGQCgAAAADBAZAKAAAAAMEBkBoAAAAAwMBBkBoAAAA AwMBBkBoAAAAAwMBBkAoAAAAAwQGACAAAAAEBgBgAAAAAQMGAGAAAAABAwYA YAAAAAICBgBgAAAAAQMLAAEAAQIAAgMAAgQAAgUABQZoDAYHaAwHCGgMCAlo DAkKaAwKC2gMCwxoDAwNaAwNDmgMDg8ADxAADxEADxIAEhMACgVoDA4JaAxC AgAAAAYFCgkIBwYGCwwNDgkKFwQAAAAAAAAAFg== </structure-pickle> <structure-indexed-at type="dateTime">2026-09-19T04:36:38Z</structure-indexed-at> </compound>