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CHEBI:71528 - 6-[4-(5,5-dimethyltetrahydrofuran-3-yl)phenoxy]hexanoic acid

ChEBI IDCHEBI:71528
ChEBI Name6-[4-(5,5-dimethyltetrahydrofuran-3-yl)phenoxy]hexanoic acid
Stars
DefinitionA monocarboxylic acid that is caproic (hexanoic) acid substituted at C-6 by a 4-(5,5-dimethyltetrahydrofuran-3-yl)phenoxy group.
Last Modified4 January 2013
SubmitterMarcus Ennis
DownloadsMolfile
FormulaC18H26O4
Net Charge0
Average Mass306.402
Monoisotopic Mass306.18311
SMILESCC1(C)CC(c2ccc(OCCCCCC(=O)O)cc2)CO1
InChIInChI=1S/C18H26O4/c1-18(2)12-15(13-22-18)14-7-9-16(10-8-14)21-11-5-3-4-6-17(19)20/h7-10,15H,3-6,11-13H2,1-2H3,(H,19,20)
InChIKeyXCOQKBFJVUFNGL-UHFFFAOYSA-N
Roles Classification
Chemical Role:
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
ChEBI Ontology
Outgoing Relation(s)
6-[4-(5,5-dimethyltetrahydrofuran-3-yl)phenoxy]hexanoic acid (CHEBI:71528) is a aromatic ether (CHEBI:35618)
6-[4-(5,5-dimethyltetrahydrofuran-3-yl)phenoxy]hexanoic acid (CHEBI:71528) is a monocarboxylic acid (CHEBI:25384)
Synonym  Source
6-[4-(5,5-dimethyltetrahydrofuran-3-yl)phenoxy]hexanoic acidChEBI
Citations