CHEBI:44630 - octane-1,8-diol

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name octane-1,8-diol
ChEBI ID CHEBI:44630
Stars This entity has been manually annotated by the ChEBI Team.
Secondary ChEBI IDs CHEBI:34901, CHEBI:44627
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Formula C8H18O2
Net Charge 0
Average Mass 146.22732
Monoisotopic Mass 146.131
InChI InChI=1S/C8H18O2/c9-7-5-3-1-2-4-6-8-10/h9-10H,1-8H2
InChIKey OEIJHBUUFURJLI-UHFFFAOYSA-N
SMILES OCCCCCCCCO
ChEBI Ontology
Outgoing octane-1,8-diol (CHEBI:44630) is a octanediol (CHEBI:37872)
IUPAC Name
octane-1,8-diol
Synonyms Sources
1,8-Octanediol KEGG COMPOUND
octamethylene glycol NIST Chemistry WebBook
Octan-1,8-diol NIST Chemistry WebBook
OCTANE-1,8-DIOL PDBeChem
Octane-1,8-diol KEGG COMPOUND
Manual Xrefs Databases
C14218 KEGG COMPOUND
ODI PDBeChem
View more database links
Registry Numbers Types Sources
1524772 Gmelin Registry Number Gmelin
1633499 Beilstein Registry Number Beilstein
629-41-4 CAS Registry Number NIST Chemistry WebBook
629-41-4 CAS Registry Number ChemIDplus
Last Modified
13 September 2007