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CHEBI:59623 - (5R)-5-isopropenyl-2-methylcyclohexane 1-hydroperoxide

Default Structure
ChEBI IDCHEBI:59623
ChEBI Name(5R)-5-isopropenyl-2-methylcyclohexane 1-hydroperoxide
Stars
ASCII Name(5R)-5-isopropenyl-2-methylcyclohexane 1-hydroperoxide
DefinitionA peroxol (hydroperoxide) derived from (R)-limonene.
Last Modified17 March 2017
SubmitterSteve
DownloadsMolfile
FormulaC10H18O2
Net Charge0
Average Mass170.252
Monoisotopic Mass170.13068
SMILESC=C(C)[C@@H]1CCC(C)C(OO)C1
InChIInChI=1S/C10H18O2/c1-7(2)9-5-4-8(3)10(6-9)12-11/h8-11H,1,4-6H2,2-3H3/t8?,9-,10?/m1/s1
InChIKeyLCPSGOHUUMKVEZ-HWOCKDDLSA-N
Roles Classification
Biological Roles:
allergen  A chemical compound, or part thereof, which causes the onset of an allergic reaction by interacting with any of the molecular pathways involved in an allergy.
hapten  Any substance capable of eliciting an immune response only when attached to a large carrier such as a protein. Examples include dinitrophenols; oligosaccharides; peptides; and heavy metals.
ChEBI Ontology
Outgoing Relation(s)
(5R)-5-isopropenyl-2-methylcyclohexane 1-hydroperoxide (CHEBI:59623) has parent hydride (4R)-limonene (CHEBI:15382)
(5R)-5-isopropenyl-2-methylcyclohexane 1-hydroperoxide (CHEBI:59623) has role allergen (CHEBI:50904)
(5R)-5-isopropenyl-2-methylcyclohexane 1-hydroperoxide (CHEBI:59623) has role hapten (CHEBI:59174)
(5R)-5-isopropenyl-2-methylcyclohexane 1-hydroperoxide (CHEBI:59623) is a peroxol (CHEBI:35924)
IUPAC Name 
(5R)-2-methyl-5-(prop-1-en-2-yl)cyclohexane-1-peroxol
Synonyms  Source
(5R)-2-methyl-5-(prop-1-en-2-yl)cyclohexyl hydroperoxideIUPAC
(5R)-5-isopropenyl-2-methylcyclohexane-1-hydroperoxideChEBI
Registry NumbersSources
Reaxys:21053497Reaxys
Citations