EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:38998 - pentamethylbenzene

ChEBI IDCHEBI:38998
ChEBI Namepentamethylbenzene
Stars
DefinitionA methylbenzene that is benzene in which five of the hydrogens are replaced by methyl groups.
Last Modified14 April 2014
SubmitterKirill Degtyarenko
DownloadsMolfile
FormulaC11H16
Net Charge0
Average Mass148.249
Monoisotopic Mass148.12520
SMILESCc1cc(C)c(C)c(C)c1C
InChIInChI=1S/C11H16/c1-7-6-8(2)10(4)11(5)9(7)3/h6H,1-5H3
InChIKeyBEZDDPMMPIDMGJ-UHFFFAOYSA-N
Wikipedia
ChEBI Ontology
Outgoing Relation(s)
pentamethylbenzene (CHEBI:38998) is a methylbenzene (CHEBI:38975)
IUPAC Name 
1,2,3,4,5-pentamethylbenzene
Synonyms  Source
pentamethylbenzeneChemIDplus
PentamethylbenzolChEBI
Manual XrefsDatabases
PentamethylbenzeneWikipedia
Registry NumbersSources
Gmelin:101789Gmelin
Reaxys:1905349Reaxys
CAS:700-12-9NIST Chemistry WebBook
CAS:700-12-9ChemIDplus
Citations