CHEBI:179542 - 1,1-Diethoxy-2-hexene

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
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 1,1-Diethoxy-2-hexene
ChEBI ID CHEBI:179542
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/c1-4-7-8-9-10(11-5-2)12-6-3/h8-10H,4-7H2,1-3H3/b9-8+
InChIKey WMQKYHTZGYIHHD-CMDGGOBGSA-N
SMILES O(C(OCC)\C=C\CCC)CC
ChEBI Ontology
Outgoing 1,1-Diethoxy-2-hexene (CHEBI:179542) is a acetal (CHEBI:59769)
IUPAC Name
(E)-1,1-diethoxyhex-2-ene
Manual Xrefs Databases
4517218 ChemSpider
HMDB0029760 HMDB
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Registry Number Type Source
67746-30-9 CAS Registry Number ChemIDplus