CHEBI:179550 - Heptanal propyleneglycol acetal

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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 Heptanal propyleneglycol acetal
ChEBI ID CHEBI:179550
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/c1-3-4-5-6-7-10-11-8-9(2)12-10/h9-10H,3-8H2,1-2H3
InChIKey GFNFPBSXMBRHRU-UHFFFAOYSA-N
SMILES O1C(OCC1C)CCCCCC
ChEBI Ontology
Outgoing Heptanal propyleneglycol acetal (CHEBI:179550) is a dioxolane (CHEBI:39430)
IUPAC Name
2-hexyl-4-methyl-1,3-dioxolane
Manual Xrefs Databases
19175 ChemSpider
HMDB0032302 HMDB
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Registry Number Type Source
4351-10-4 CAS Registry Number ChemIDplus