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

ChEBI IDCHEBI:87689
ChEBI Nametrans-4-tert-butylcyclohexanecarboxylic acid
Stars
ASCII Nametrans-4-tert-butylcyclohexanecarboxylic acid
DefinitionA monocarboxylic acid that is cyclohexanecarboxylic acid substituted by a tert-butyl group at position 4 (the trans-stereoisomer).
Last Modified27 August 2015
Submitternamrata
DownloadsMolfile
FormulaC11H20O2
Net Charge0
Average Mass184.279
Monoisotopic Mass184.14633
SMILES[H][C@]1(C(=O)O)CC[C@]([H])(C(C)(C)C)CC1
InChIInChI=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-
InChIKeyQVQKEGYITJBHRQ-KYZUINATSA-N
Roles Classification
Chemical Role:
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
Biological Role:
metabolite  Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.
ChEBI Ontology
Outgoing Relation(s)
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 acidChEBI
Registry NumbersSources
Reaxys:2206821Reaxys