3-Quinuclidinol, 2-ethyl-, benzilate (ester)
Basic information
- CAS
102338-77-2- Standard SMILES
CCC1C(OC(=O)C(O)(c2ccccc2)c2ccccc2)C2CCN1CC2- InChIKey
UWUJLHYQCAEYBJ-UHFFFAOYSA-N- Molecular formula
- C23H27NO3
- Average molar mass
- 365.5 g/mol
- Monoisotopic mass
- 365.19909372
Names & identifiers
- Preferred name
- 3-Quinuclidinol, 2-ethyl-, benzilate (ester)
- IUPAC
- (2-ethyl-1-azabicyclo[2.2.2]octan-3-yl) 2-hydroxy-2,2-diphenylacetate
Names & synonyms
2-Ethyl-3-quinuclidyl benzilate3-Quinuclidinol, 2-ethyl-, benzilate (ester)102338-77-2RefChem:282602NSC263552DTXSID20907380NSC-2635522-Ethyl-1-azabicyclo[2.2.2]octan-3-yl hydroxy(diphenyl)acetate2-Ethyl-1-azabicyclo[2.2.2]octan-3-yl hydroxydi(phenyl)acetate
Database identifiers
- CAS
102338-77-2- PubChem CID
- 429706
- DTXSID
DTXSID20907380- Nikkaji
- J84.998G
Properties
Computed structural properties
- XLogP
- 4.2
- Topological polar surface area
- 49.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 6
- Heavy atoms
- 27
- Formal charge
- 0
- Complexity
- 484
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Compound notes
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