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CHEBI:87517 - 4,5-dimethyl-1-hexene

ChEBI IDCHEBI:87517
ChEBI Name4,5-dimethyl-1-hexene
Stars
DefinitionAn alkene that is hex-1-ene substituted by methyl groups at positions 4 and 5 respectively.
Last Modified17 August 2015
Submitternamrata
DownloadsMolfile
FormulaC8H16
Net Charge0
Average Mass112.216
Monoisotopic Mass112.12520
SMILESC=CCC(C)C(C)C
InChIInChI=1S/C8H16/c1-5-6-8(4)7(2)3/h5,7-8H,1,6H2,2-4H3
InChIKeyUFWIBUBEFUNVNI-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)
4,5-dimethyl-1-hexene (CHEBI:87517) has parent hydride 1-hexene (CHEBI:24579)
4,5-dimethyl-1-hexene (CHEBI:87517) has role metabolite (CHEBI:25212)
4,5-dimethyl-1-hexene (CHEBI:87517) is a alkene (CHEBI:32878)
IUPAC Name 
4,5-dimethylhex-1-ene
Registry NumbersSources
Reaxys:1697263Reaxys
CAS:16106-59-5ChemIDplus
CAS:16106-59-5NIST Chemistry WebBook