2-Cyclohexeneglycolic acid, alpha-phenyl-, 3-quinuclidinyl ester
Basic information
- CAS
101564-46-9- Standard SMILES
O=C(OC1CN2CCC1CC2)C(O)(c1ccccc1)C1C=CCCC1- InChIKey
RCKXTVPHXGVNOJ-UHFFFAOYSA-N- Molecular formula
- C21H27NO3
- Average molar mass
- 341.4 g/mol
- Monoisotopic mass
- 341.19909372
Names & identifiers
- Preferred name
- 2-Cyclohexeneglycolic acid, alpha-phenyl-, 3-quinuclidinyl ester
- IUPAC
- 1-azabicyclo[2.2.2]octan-3-yl 2-cyclohex-2-en-1-yl-2-hydroxy-2-phenylacetate
Names & synonyms
3-Quinuclidyl alpha-(2-cyclohexenyl)-alpha-phenylglycolate101564-46-92-Cyclohexeneglycolic acid, alpha-phenyl-, 3-quinuclidinyl esterRefChem:259860DTXSID509063411-Azabicyclo[2.2.2]octan-3-yl (cyclohex-2-en-1-yl)(hydroxy)phenylacetate1-Azabicyclo[2.2.2]octan-3-yl (cyclohex-2-en-1-yl)(hydroxy)(phenyl)acetate
Database identifiers
- CAS
101564-46-9- PubChem CID
- 3063754
- DTXSID
DTXSID50906341- Nikkaji
- J77.858C
Properties
Computed structural properties
- XLogP
- 3.4
- Topological polar surface area
- 49.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 5
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 505
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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