CHEBI:87689 - trans-4-tert-butylcyclohexanecarboxylic acid

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ChEBI Name trans-4-tert-butylcyclohexanecarboxylic acid
ChEBI ID CHEBI:87689
ChEBI ASCII Name trans-4-tert-butylcyclohexanecarboxylic acid
Definition A monocarboxylic acid that is cyclohexanecarboxylic acid substituted by a tert-butyl group at position 4 (the trans-stereoisomer).
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
Download Molfile XML SDF
Formula C11H20O2
Net Charge 0
Average Mass 184.276
Monoisotopic Mass 184.14633
InChI InChI=1S/C11H20O2/c1-11(2,3)9-6-4-8(5-7-9)10(12)13/h8-9H,4-7H2,1-3H3,(H,12,13)/t8-,9-
InChIKey QVQKEGYITJBHRQ-KYZUINATSA-N
SMILES C1C[C@](CC[C@@]1(C(C)(C)C)[H])(C(O)=O)[H]
Roles Classification
Chemical Role(s): Bronsted acid
A molecular entity capable of donating a hydron to an acceptor (Bronsted base).
(via oxoacid )
Biological Role(s): metabolite
Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.
View more via ChEBI Ontology
ChEBI Ontology
Outgoing trans-4-tert-butylcyclohexanecarboxylic acid (CHEBI:87689) has parent hydride cyclohexane (CHEBI:29005)
trans-4-tert-butylcyclohexanecarboxylic acid (CHEBI:87689) has role metabolite (CHEBI:25212)
trans-4-tert-butylcyclohexanecarboxylic acid (CHEBI:87689) is a monocarboxylic acid (CHEBI:25384)
IUPAC Name
trans-4-tert-butylcyclohexane-1-carboxylic acid
Synonym Source
trans-4-(dimethylethyl)cyclohexanecarboxylic acid ChEBI
Registry Number Type Source
2206821 Reaxys Registry Number Reaxys
Last Modified
27 August 2015