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CHEBI:17590 - octane

ChEBI IDCHEBI:17590
ChEBI Nameoctane
Stars
DefinitionA straight chain alkane composed of 8 carbon atoms.
Secondary ChEBI IDsCHEBI:7723, CHEBI:14680, CHEBI:25465, CHEBI:25645, CHEBI:44621
Last Modified28 June 2024
DownloadsMolfile

FormulaC8H18
Net Charge0
Average Mass114.232
Monoisotopic Mass114.14085
SMILESCCCCCCCC
InChIInChI=1S/C8H18/c1-3-5-7-8-6-4-2/h3-8H2,1-2H3
InChIKeyTVMXDCGIABBOFY-UHFFFAOYSA-N

Wikipedia
Roles Classification

ChEBI Ontology
IUPAC Name 
octane
Synonyms  Source
OctaneKEGG COMPOUND
n-OctaneKEGG COMPOUND
OktanNIST Chemistry WebBook
n-OktanChEBI
CH3‒[CH2]6‒CH3IUPAC
N-OCTANEPDBeChem
UniProt Name  Source
octaneUniProt
Manual XrefsDatabases
C01387KEGG COMPOUND
C01387KEGG COMPOUND
c0044UM-BBD
OCTPDBeChem
LMFA11000002LIPID MAPS
DB02440DrugBank
CPD-148MetaCyc
OctaneWikipedia
HMDB0001485HMDB
Registry NumbersSources
Gmelin:82412Gmelin
Reaxys:1696875Reaxys
CAS:111-65-9KEGG COMPOUND
CAS:111-65-9ChemIDplus
CAS:111-65-9NIST Chemistry WebBook
Citations