EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:46708 - 1-octene

ChEBI IDCHEBI:46708
ChEBI Name1-octene
Stars
DefinitionAn octene with an unsaturation C-1.
Last Modified22 February 2021
SubmitterKirill Degtyarenko
DownloadsMolfile
FormulaC8H16
Net Charge0
Average Mass112.216
Monoisotopic Mass112.12520
SMILESC=CCCCCCC
InChIInChI=1S/C8H16/c1-3-5-7-8-6-4-2/h3H,1,4-8H2,2H3
InChIKeyKWKAKUADMBZCLK-UHFFFAOYSA-N
Wikipedia
ChEBI Ontology
Outgoing Relation(s)
1-octene (CHEBI:46708) is a octene (CHEBI:46709)
Incoming Relation(s)
oct-1-en-3-ol (CHEBI:34118) has parent hydride 1-octene (CHEBI:46708)
oct-7-en-1-ol (CHEBI:139284) has parent hydride 1-octene (CHEBI:46708)
IUPAC Name 
oct-1-ene
Synonyms  Source
1-octeneChemIDplus
α-octeneNIST Chemistry WebBook
α-octyleneNIST Chemistry WebBook
n-1-octeneNIST Chemistry WebBook
1-capryleneChemIDplus
capryleneChemIDplus
Manual XrefsDatabases
HMDB0032449HMDB
1-OcteneWikipedia
Registry NumbersSources
Gmelin:2825Gmelin
Reaxys:1734497Reaxys
CAS:111-66-0NIST Chemistry WebBook
CAS:111-66-0ChemIDplus
Citations