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

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

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ChEBI ID	CHEBI:199393
ChEBI Name	[1-(2′-methylpropoxy)-2-hydroxy-2-methylpropoxy]butane
Stars
Submitter	MetaboLights
Downloads	Molfile

Formula	C12H26O3
Net Charge	0
Average Mass	218.337
Monoisotopic Mass	218.18819
SMILES	CCCCO[C@@H](OCC(C)C)C(C)(C)O
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

Species of Metabolite	Component	Source	Comments
Photobacterium angustum S14 (ncbitaxon:314292)	-	PubMed (11325243)

ChEBI Ontology

Outgoing Relation(s)
	[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 Xrefs	Databases
8807988	ChemSpider