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

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 3-Methyl-3-butenyl acetate
ChEBI ID CHEBI:173495
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C7H12O2
Net Charge 0
Average Mass 128.171
Monoisotopic Mass 128.08373
InChI InChI=1S/C7H12O2/c1-6(2)4-5-9-7(3)8/h1,4-5H2,2-3H3
InChIKey OCUAPVNNQFAQSM-UHFFFAOYSA-N
SMILES O(CCC(C)=C)C(=O)C
ChEBI Ontology
Outgoing 3-Methyl-3-butenyl acetate (CHEBI:173495) is a carboxylic ester (CHEBI:33308)
IUPAC Name
3-methylbut-3-enyl acetate
Manual Xrefs Databases
71214 ChemSpider
HMDB0032391 HMDB
View more database links
Registry Number Type Source
5205-07-2 CAS Registry Number ChemIDplus