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CHEBI:87523 - 4-ethyl-1-hexene

ChEBI IDCHEBI:87523
ChEBI Name4-ethyl-1-hexene
Stars
DefinitionAn alkene that is 1-hexene substituted by an ethyl group at position 4.
Last Modified18 August 2015
Submitternamrata
DownloadsMolfile
FormulaC8H16
Net Charge0
Average Mass112.216
Monoisotopic Mass112.12520
SMILESC=CCC(CC)CC
InChIInChI=1S/C8H16/c1-4-7-8(5-2)6-3/h4,8H,1,5-7H2,2-3H3
InChIKeyOPMUAJRVOWSBTP-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)
4-ethyl-1-hexene (CHEBI:87523) has parent hydride 1-hexene (CHEBI:24579)
4-ethyl-1-hexene (CHEBI:87523) has role metabolite (CHEBI:25212)
4-ethyl-1-hexene (CHEBI:87523) is a alkene (CHEBI:32878)
IUPAC Name 
4-ethylhex-1-ene
Registry NumbersSources
Reaxys:1814539Reaxys
CAS:16746-85-3ChemIDplus