EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:87342 - (1,2,3-trimethyl-2-cyclopropen-1-yl)benzene

Default Structure
ChEBI IDCHEBI:87342
ChEBI Name(1,2,3-trimethyl-2-cyclopropen-1-yl)benzene
Stars
DefinitionA member of the class of benzenes that is benzene substituted by a 1,2,3-trimethyl-2-cyclopropen-1-yl group.
Last Modified6 April 2016
Submitternamrata
DownloadsMolfile
FormulaC12H14
Net Charge0
Average Mass158.244
Monoisotopic Mass158.10955
SMILESCC1=C(C)C1(C)c1ccccc1
InChIInChI=1S/C12H14/c1-9-10(2)12(9,3)11-7-5-4-6-8-11/h4-8H,1-3H3
InChIKeyOHNHLTBFDBOYSK-UHFFFAOYSA-N
Roles Classification
Biological Role:
metabolite  Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.
ChEBI Ontology
Outgoing Relation(s)
(1,2,3-trimethyl-2-cyclopropen-1-yl)benzene (CHEBI:87342) has role metabolite (CHEBI:25212)
(1,2,3-trimethyl-2-cyclopropen-1-yl)benzene (CHEBI:87342) is a benzenes (CHEBI:22712)
(1,2,3-trimethyl-2-cyclopropen-1-yl)benzene (CHEBI:87342) is a cyclopropanes (CHEBI:51454)
IUPAC Name 
(1,2,3-trimethyl-2-cyclopropen-1-yl)benzene
Registry NumbersSources
Reaxys:1929228Reaxys