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CHEBI:179777 - Hexanal octane-1,3-diol acetal

ChEBI IDCHEBI:179777
ChEBI NameHexanal octane-1,3-diol acetal
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC14H28O2
Net Charge0
Average Mass228.376
Monoisotopic Mass228.20893
SMILESCCCCCC1CCOC(CCCCC)O1
InChIInChI=1S/C14H28O2/c1-3-5-7-9-13-11-12-15-14(16-13)10-8-6-4-2/h13-14H,3-12H2,1-2H3
InChIKeyJTGGXBHDIVDFHP-UHFFFAOYSA-N
ChEBI Ontology
Outgoing Relation(s)
Hexanal octane-1,3-diol acetal (CHEBI:179777) is a dioxanes (CHEBI:46926)
IUPAC Name 
2,4-dipentyl-1,3-dioxane
Manual XrefsDatabases
13474667ChemSpider
HMDB0032318HMDB
Registry NumbersSources
CAS:202188-46-3ChemIDplus