EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:173495 - 3-Methyl-3-butenyl acetate

ChEBI IDCHEBI:173495
ChEBI Name3-Methyl-3-butenyl acetate
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC7H12O2
Net Charge0
Average Mass128.171
Monoisotopic Mass128.08373
SMILESC=C(C)CCOC(C)=O
InChIInChI=1S/C7H12O2/c1-6(2)4-5-9-7(3)8/h1,4-5H2,2-3H3
InChIKeyOCUAPVNNQFAQSM-UHFFFAOYSA-N
ChEBI Ontology
Outgoing Relation(s)
3-Methyl-3-butenyl acetate (CHEBI:173495) is a carboxylic ester (CHEBI:33308)
IUPAC Name 
3-methylbut-3-enyl acetate
Manual XrefsDatabases
71214ChemSpider
HMDB0032391HMDB
Registry NumbersSources
CAS:5205-07-2ChemIDplus