CHEBI:48087 - but-1-yne

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name but-1-yne
ChEBI ID CHEBI:48087
Definition A terminal acetylenic compound that is butane carrying a triple bond at position 1.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
Download Molfile XML SDF
Formula C4H6
Net Charge 0
Average Mass 54.09044
Monoisotopic Mass 54.047
InChI InChI=1S/C4H6/c1-3-4-2/h1H,4H2,2H3
InChIKey KDKYADYSIPSCCQ-UHFFFAOYSA-N
SMILES CCC#C
ChEBI Ontology
Outgoing but-1-yne (CHEBI:48087) is a alkyne (CHEBI:22339)
but-1-yne (CHEBI:48087) is a terminal acetylenic compound (CHEBI:73477)
Incoming 3-methyl-1-butyne (CHEBI:87379) has parent hydride but-1-yne (CHEBI:48087)
IUPAC Name
but-1-yne
Synonyms Sources
1-butyne ChemIDplus
ethyl acetylene ChemIDplus
ethylacetylene ChemIDplus
Registry Numbers Types Sources
107-00-6 CAS Registry Number ChemIDplus
107-00-6 CAS Registry Number NIST Chemistry WebBook
1304439 Beilstein Registry Number Beilstein
Last Modified
07 August 2015