CHEBI:179549 - Hexanal butane-2,3-diol 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 Hexanal butane-2,3-diol acetal
ChEBI ID CHEBI:179549
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C10H20O2
Net Charge 0
Average Mass 172.268
Monoisotopic Mass 172.14633
InChI InChI=1S/C10H20O2/c1-4-5-6-7-10-11-8(2)9(3)12-10/h8-10H,4-7H2,1-3H3
InChIKey CMOJDAJROWMHLQ-UHFFFAOYSA-N
SMILES O1C(OC(C1C)C)CCCCC
ChEBI Ontology
Outgoing Hexanal butane-2,3-diol acetal (CHEBI:179549) is a dioxolane (CHEBI:39430)
IUPAC Name
4,5-dimethyl-2-pentyl-1,3-dioxolane
Manual Xrefs Databases
9259492 ChemSpider
HMDB0032315 HMDB
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Registry Number Type Source
155639-75-1 CAS Registry Number ChemIDplus