CHEBI:195438 - 1,7-decanediol

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name 1,7-decanediol
ChEBI ID CHEBI:195438
Definition A diol that is decane substituted by hydroxy groups at position 1 and 7.
Stars This entity has been manually annotated by the ChEBI Team.
Submitter Lucila Aimo
Supplier Information
Download Molfile XML SDF
Formula C10H22O2
Net Charge 0
Average Mass 174.284
Monoisotopic Mass 174.16198
InChI InChI=1S/C10H22O2/c1-2-7-10(12)8-5-3-4-6-9-11/h10-12H,2-9H2,1H3
InChIKey QGNYXNXFYTZJHR-UHFFFAOYSA-N
SMILES CCCC(O)CCCCCCO
ChEBI Ontology
Outgoing 1,7-decanediol (CHEBI:195438) is a aliphatic alcohol (CHEBI:2571)
1,7-decanediol (CHEBI:195438) is a diol (CHEBI:23824)
1,7-decanediol (CHEBI:195438) is a fatty alcohol (CHEBI:24026)
1,7-decanediol (CHEBI:195438) is a primary alcohol (CHEBI:15734)
1,7-decanediol (CHEBI:195438) is a secondary alcohol (CHEBI:35681)
IUPAC Name
decane-1,7-diol
Synonyms Sources
1,7-decanediol UniProt
1,7-dihydroxydecane SUBMITTER
Registry Number Type Source
13175-33-2 CAS Registry Number NIST Chemistry WebBook
Citations Waiting for Citations Types Sources
27557638 PubMed citation Europe PMC
32147902 PubMed citation SUBMITTER
Last Modified
16 August 2023