CHEBI:199393 - [1-(2′-methylpropoxy)-2-hydroxy-2-methylpropoxy]butane

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 [1-(2′-methylpropoxy)-2-hydroxy-2-methylpropoxy]butane
ChEBI ID CHEBI:199393
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C12H26O3
Net Charge 0
Average Mass 218.337
Monoisotopic Mass 218.18819
InChI InChI=1S/C12H26O3/c1-6-7-8-14-11(12(4,5)13)15-9-10(2)3/h10-11,13H,6-9H2,1-5H3/t11-/m0/s1
InChIKey XDNTYWKFQWLSGQ-NSHDSACASA-N
SMILES O([C@H](OCCCC)C(O)(C)C)CC(C)C
Metabolite of Species Details
Photobacterium angustum S14 (NCBI:txid314292) See: PubMed
ChEBI Ontology
Outgoing [1-(2′-methylpropoxy)-2-hydroxy-2-methylpropoxy]butane (CHEBI:199393) is a tertiary alcohol (CHEBI:26878)
IUPAC Name
1-butoxy-2-methyl-1-(2-methylpropoxy)propan-2-ol
Manual Xref Database
8807988 ChemSpider
View more database links