CHEBI:176793 - 1-hexyne

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ChEBI Name 1-hexyne ChEBI ID CHEBI:176793 Definition A terminal acetylenic compound that is hexane carrying a triple bond at position 1. Stars This entity has been manually annotated by the ChEBI Team. Submitter Anonymous Supplier Information Download Molfile XML SDF Find compounds which contain this structure Find compounds which resemble this structure Take structure to the Advanced Search Wikipedia License Read full article at Wikipedia Formula C6H10 Net Charge 0 Average Mass 82.146 Monoisotopic Mass 82.07825 InChI InChI=1S/C6H10/c1-3-5-6-4-2/h1H,4-6H2,2H3 InChIKey CGHIBGNXEGJPQZ-UHFFFAOYSA-N SMILES CCCCC#C ChEBI Ontology Outgoing 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 Sources butylacetylene ChemIDplus CH3(CH2)3C≡CH ChEBI n-butylacetylene ChemIDplus Manual Xrefs Databases 1-Hexyne Wikipedia 12209 ChemSpider View more database links Registry Numbers Types Sources 635687 Reaxys Registry Number Reaxys 693-02-7 CAS Registry Number ChemIDplus 693-02-7 CAS Registry Number NIST Chemistry WebBook Citations Types Sources 16292804 PubMed citation Europe PMC 20280694 PubMed citation Europe PMC 21431175 PubMed citation Europe PMC 22382395 PubMed citation Europe PMC 22441806 PubMed citation Europe PMC 26118787 PubMed citation Europe PMC 26118894 PubMed citation Europe PMC 27436484 PubMed citation Europe PMC 27482938 PubMed citation Europe PMC 29162805 PubMed citation Europe PMC 31333987 PubMed citation Europe PMC 32573186 PubMed citation Europe PMC 7464131 PubMed citation Europe PMC Last Modified 09 July 2021