CHEBI:82413 - 1-tert-Butoxy-2-propanol

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name 1-tert-Butoxy-2-propanol
ChEBI ID CHEBI:82413
Stars This entity has been manually annotated by a third party.
Supplier Information
Download Molfile XML SDF
Formula C7H16O2
Net Charge 0
Average Mass 132.20070
Monoisotopic Mass 132.115
InChI InChI=1S/C7H16O2/c1-6(8)5-9-7(2,3)4/h6,8H,5H2,1-4H3
InChIKey GQCZPFJGIXHZMB-UHFFFAOYSA-N
SMILES CC(O)COC(C)(C)C
ChEBI Ontology
Outgoing 1-tert-Butoxy-2-propanol (CHEBI:82413) is a secondary alcohol (CHEBI:35681)
Synonyms Sources
1-(1,1-Dimethylethoxy)-2-propanol KEGG COMPOUND
Propylene glycol mono-t-buthyl ether KEGG COMPOUND
Manual Xref Database
C19356 KEGG COMPOUND
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Registry Number Type Source
57018-52-7 CAS Registry Number KEGG COMPOUND