(1R,4R,6R)-1,3,3-Trimethyl-2-oxabicyclo[2.2.2]octan-6-ol
Basic information
- CAS
54164-88-4- Standard SMILES
CC1(C)O[C@]2(C)CC[C@@H]1C[C@H]2O- InChIKey
YVCUGZBVCHODNB-NQMVMOMDSA-N- Molecular formula
- C10H18O2
- Average molar mass
- 170.25 g/mol
- Monoisotopic mass
- 170.13067981
Names & identifiers
- Preferred name
- (1R,4R,6R)-1,3,3-Trimethyl-2-oxabicyclo[2.2.2]octan-6-ol
- IUPAC
- (1R,4R,6R)-1,3,3-trimethyl-2-oxabicyclo[2.2.2]octan-6-ol
Names & synonyms
54164-88-4DTXSID80319182(1R,4R,6R)-1,3,3-Trimethyl-2-oxabicyclo[2.2.2]octan-6-olNSC341366NSC-341366
Database identifiers
- CAS
54164-88-4- PubChem CID
- 334765
- DTXSID
DTXSID80319182
Properties
Computed structural properties
- XLogP
- 1.2
- Topological polar surface area
- 29.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 0
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 200
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Compound notes
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