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

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ChEBI Name 4,5-dimethyl-1-hexene
ChEBI ID CHEBI:87517
Definition An alkene that is hex-1-ene substituted by methyl groups at positions 4 and 5 respectively.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
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Formula C8H16
Net Charge 0
Average Mass 112.21260
Monoisotopic Mass 112.12520
InChI InChI=1S/C8H16/c1-5-6-8(4)7(2)3/h5,7-8H,1,6H2,2-4H3
InChIKey UFWIBUBEFUNVNI-UHFFFAOYSA-N
SMILES CC(C)C(C)CC=C
Roles Classification
Biological Role(s): metabolite
Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.
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ChEBI Ontology
Outgoing 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 Numbers Types Sources
16106-59-5 CAS Registry Number NIST Chemistry WebBook
16106-59-5 CAS Registry Number ChemIDplus
1697263 Reaxys Registry Number Reaxys
Last Modified
17 August 2015