Record Information
Version1.0
StatusDetected and Quantified
Creation Date2021-11-19 04:53:35 UTC
Update Date2022-08-31 22:36:45 UTC
Metabolite IDMMDBc0033559
Metabolite Identification
Common Name2-Methylisoborneol
Description2-Methylisoborneol belongs to the class of organic compounds known as bicyclic monoterpenoids. These are monoterpenoids containing exactly 2 rings, which are fused to each other. 2-Methylisoborneol is an extremely weak basic (essentially neutral) compound (based on its pKa).
Structure
SynonymsNot Available
Molecular FormulaC11H20O
Average Mass168.2759
Monoisotopic Mass168.151415262
IUPAC Name(1S,2R,4R)-1,2,7,7-tetramethylbicyclo[2.2.1]heptan-2-ol
Traditional Name(1S,2R,4R)-1,2,7,7-tetramethylbicyclo[2.2.1]heptan-2-ol
CAS Registry Number2371-42-8
SMILES
CC1(C)[C@@H]2CC[C@]1(C)[C@](C)(O)C2
InChI Identifier
InChI=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
InChI KeyLFYXNXGVLGKVCJ-DVVUODLYSA-N