EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:179550 - Heptanal propyleneglycol acetal

ChEBI IDCHEBI:179550
ChEBI NameHeptanal propyleneglycol acetal
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC10H20O2
Net Charge0
Average Mass172.268
Monoisotopic Mass172.14633
SMILESCCCCCCC1OCC(C)O1
InChIInChI=1S/C10H20O2/c1-3-4-5-6-7-10-11-8-9(2)12-10/h9-10H,3-8H2,1-2H3
InChIKeyGFNFPBSXMBRHRU-UHFFFAOYSA-N
ChEBI Ontology
Outgoing Relation(s)
Heptanal propyleneglycol acetal (CHEBI:179550) is a dioxolane (CHEBI:39430)
IUPAC Name 
2-hexyl-4-methyl-1,3-dioxolane
Manual XrefsDatabases
HMDB0032302HMDB
19175ChemSpider
Registry NumbersSources
CAS:4351-10-4ChemIDplus