CHEBI:34711 - Diisopropyl adipate

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name Diisopropyl adipate
ChEBI ID CHEBI:34711
Stars This entity has been manually annotated by a third party.
Supplier Information
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Formula C12H22O4
Net Charge 0
Average Mass 230.301
Monoisotopic Mass 230.15181
InChI InChI=1S/C12H22O4/c1-9(2)15-11(13)7-5-6-8-12(14)16-10(3)4/h9-10H,5-8H2,1-4H3
InChIKey ZDQWESQEGGJUCH-UHFFFAOYSA-N
SMILES CC(C)OC(=O)CCCCC(=O)OC(C)C
ChEBI Ontology
Outgoing Diisopropyl adipate (CHEBI:34711) is a fatty acid ester (CHEBI:35748)
Diisopropyl adipate (CHEBI:34711) is a isopropyl ester (CHEBI:35725)
Synonym Source
Diisopropyl adipate KEGG COMPOUND
Manual Xrefs Databases
C14523 KEGG COMPOUND
HMDB0041613 HMDB
View more database links
Registry Number Type Source
6938-94-9 CAS Registry Number KEGG COMPOUND
Last Modified
09 March 2018