CHEBI:178229 - 1,1-Dimethoxyheptane

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-Dimethoxyheptane
ChEBI ID CHEBI:178229
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C9H20O2
Net Charge 0
Average Mass 160.257
Monoisotopic Mass 160.14633
InChI InChI=1S/C9H20O2/c1-4-5-6-7-8-9(10-2)11-3/h9H,4-8H2,1-3H3
InChIKey BBMCNYFBAIUERL-UHFFFAOYSA-N
SMILES O(C(OC)CCCCCC)C
ChEBI Ontology
Outgoing 1,1-Dimethoxyheptane (CHEBI:178229) is a acetal (CHEBI:59769)
IUPAC Name
1,1-dimethoxyheptane
Manual Xrefs Databases
55376 ChemSpider
HMDB0040432 HMDB
View more database links
Registry Number Type Source
10032-05-0 CAS Registry Number ChemIDplus