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CHEBI:176793 - 1-hexyne

ChEBI IDCHEBI:176793
ChEBI Name1-hexyne
Stars
DefinitionA terminal acetylenic compound that is hexane carrying a triple bond at position 1.
Last Modified9 July 2021
DownloadsMolfile
FormulaC6H10
Net Charge0
Average Mass82.146
Monoisotopic Mass82.07825
SMILESC#CCCCC
InChIInChI=1S/C6H10/c1-3-5-6-4-2/h1H,4-6H2,2H3
InChIKeyCGHIBGNXEGJPQZ-UHFFFAOYSA-N
Wikipedia
ChEBI Ontology
Outgoing Relation(s)
1-hexyne (CHEBI:176793) is a alkyne (CHEBI:22339)
1-hexyne (CHEBI:176793) is a terminal acetylenic compound (CHEBI:73477)
1-hexyne (CHEBI:176793) is a volatile organic compound (CHEBI:134179)
IUPAC Name 
hex-1-yne
Synonyms  Source
butylacetyleneChemIDplus
n-butylacetyleneChemIDplus
CH3(CH2)3C≡CHChEBI
Manual XrefsDatabases
1-HexyneWikipedia
12209ChemSpider
Registry NumbersSources
Reaxys:635687Reaxys
CAS:693-02-7ChemIDplus
CAS:693-02-7NIST Chemistry WebBook
Citations