CHEBI:180234 - 6-Decanolide

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
This entity has been annotated by a third party. If you would like more information added to this entry, please contact ChEBI via email or GitHub.
ChEBI Name 6-Decanolide
ChEBI ID CHEBI:180234
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C10H18O2
Net Charge 0
Average Mass 170.252
Monoisotopic Mass 170.13068
InChI InChI=1S/C10H18O2/c1-2-3-6-9-7-4-5-8-10(11)12-9/h9H,2-8H2,1H3
InChIKey YKVIWISPFDZYOW-UHFFFAOYSA-N
SMILES O1C(CCCCC1=O)CCCC
ChEBI Ontology
Outgoing 6-Decanolide (CHEBI:180234) is a lactone (CHEBI:25000)
IUPAC Name
7-butyloxepan-2-one
Manual Xrefs Databases
56345 ChemSpider
HMDB0033203 HMDB
View more database links
Registry Number Type Source
5579-78-2 CAS Registry Number ChemIDplus