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CHEBI:61987 - 2-methylisoborneol

ChEBI IDCHEBI:61987
ChEBI Name2-methylisoborneol
Stars
DefinitionAn bornane monoterpenoid comprising isoborneol carrying a 2-methyl substituent (the 1R,2R,4R-diastereomer).
Last Modified22 March 2012
SubmitterSteve
DownloadsMolfile
FormulaC11H20O
Net Charge0
Average Mass168.280
Monoisotopic Mass168.15142
SMILESCC1(C)[C@@H]2CC[C@@]1(C)[C@](C)(O)C2
InChIInChI=1S/C11H20O/c1-9(2)8-5-6-10(9,3)11(4,12)7-8/h8,12H,5-7H2,1-4H3/t8-,10-,11-/m1/s1
InChIKeyLFYXNXGVLGKVCJ-FBIMIBRVSA-N
ChEBI Ontology
Outgoing Relation(s)
2-methylisoborneol (CHEBI:61987) is a bornane monoterpenoid (CHEBI:22912)
2-methylisoborneol (CHEBI:61987) is a bridged compound (CHEBI:35990)
IUPAC Name 
(1R,2R,4R)-1,2,7,7-tetramethylbicyclo[2.2.1]heptan-2-ol
Synonyms  Source
MIBChEBI
exo-1,2,7,7-tetramethylbicyclo(2.2.1)heptan-2-olChemIDplus
(1R-exo)-1,2,7,7-tetramethylbicyclo(2.2.1)heptan-2-olChEBI
UniProt Name  Source
2-methylisoborneolUniProt
Registry NumbersSources
Reaxys:2552192Reaxys
CAS:2371-42-8ChemIDplus
CAS:2371-42-8NIST Chemistry WebBook
Citations