CHEBI:87379 - 3-methyl-1-butyne

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ChEBI Name 3-methyl-1-butyne
ChEBI ID CHEBI:87379
Definition A terminal acetylenic compound that is but-1-yne substituted by a methyl group at position 3.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
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Formula C5H8
Net Charge 0
Average Mass 68.11700
Monoisotopic Mass 68.06260
InChI InChI=1S/C5H8/c1-4-5(2)3/h1,5H,2-3H3
InChIKey USCSRAJGJYMJFZ-UHFFFAOYSA-N
SMILES CC(C)C#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.
View more via ChEBI Ontology
ChEBI Ontology
Outgoing 3-methyl-1-butyne (CHEBI:87379) has parent hydride but-1-yne (CHEBI:48087)
3-methyl-1-butyne (CHEBI:87379) has role metabolite (CHEBI:25212)
3-methyl-1-butyne (CHEBI:87379) is a alkyne (CHEBI:22339)
3-methyl-1-butyne (CHEBI:87379) is a terminal acetylenic compound (CHEBI:73477)
IUPAC Name
3-methylbut-1-yne
Synonym Source
isopropyl acetylene ChEBI
Registry Numbers Types Sources
1731476 Reaxys Registry Number Reaxys
598-23-2 CAS Registry Number ChemIDplus
598-23-2 CAS Registry Number NIST Chemistry WebBook
Last Modified
01 September 2015