CHEBI:179547 - Acetaldehyde 1,3-octanediol acetal

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ChEBI Name Acetaldehyde 1,3-octanediol acetal
ChEBI ID CHEBI:179547
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
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Formula C10H20O2
Net Charge 0
Average Mass 172.268
Monoisotopic Mass 172.14633
InChI InChI=1S/C10H20O2/c1-3-4-5-6-10-7-8-11-9(2)12-10/h9-10H,3-8H2,1-2H3
InChIKey NZTUUEJEMACERX-UHFFFAOYSA-N
SMILES O1C(CCCCC)CCOC1C
ChEBI Ontology
Outgoing Acetaldehyde 1,3-octanediol acetal (CHEBI:179547) is a dioxanes (CHEBI:46926)
IUPAC Name
2-methyl-4-pentyl-1,3-dioxane
Manual Xrefs Databases
9280962 ChemSpider
HMDB0032155 HMDB
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Registry Number Type Source
202188-43-0 CAS Registry Number ChemIDplus