EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:172458 - 8,8-Dimethoxy-2,6-dimethyl-2-octanol

ChEBI IDCHEBI:172458
ChEBI Name8,8-Dimethoxy-2,6-dimethyl-2-octanol
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC12H26O3
Net Charge0
Average Mass218.337
Monoisotopic Mass218.18819
SMILESCOC(CC(C)CCCC(C)(C)O)OC
InChIInChI=1S/C12H26O3/c1-10(9-11(14-4)15-5)7-6-8-12(2,3)13/h10-11,13H,6-9H2,1-5H3
InChIKeyQCJVKUULZGKQDG-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Homo sapiens (ncbitaxon:9606) blood plasma (BTO:0000131) MetaboLights (MTBLS2633)
ChEBI Ontology
Outgoing Relation(s)
8,8-Dimethoxy-2,6-dimethyl-2-octanol (CHEBI:172458) is a tertiary alcohol (CHEBI:26878)
IUPAC Name 
8,8-dimethoxy-2,6-dimethyloctan-2-ol
Manual XrefsDatabases
HMDB0040219HMDB
8530ChemSpider
Registry NumbersSources
CAS:141-92-4ChemIDplus