Basic information
- CAS
6606-10-6- Standard SMILES
CN1C2CCCC1CC(OC(=O)C(O)(c1ccccc1)C1CCCCC1)C2- InChIKey
YMDUJCJRAIWWAW-UHFFFAOYSA-N- Molecular formula
- C23H33NO3
- Average molar mass
- 371.5 g/mol
- Monoisotopic mass
- 371.24604391
Names & identifiers
- Preferred name
- Cyclohexaneglycolic acid, alpha-phenyl-, 9-methyl-9-azabicyclo(3.3.1)non-3-alpha-yl ester
- IUPAC
- (9-methyl-9-azabicyclo[3.3.1]nonan-3-yl) 2-cyclohexyl-2-hydroxy-2-phenylacetate
Names & synonyms
KSD 2283BRN 1506170alpha-Phenylcyclohexaneglycolic acid 9-methyl-9-azabicyclo(3.3.1)non-3-yl ester9-Methyl-3-alpha-granatanyl phenylcyclohexyglycolate6606-10-6N-Methyl-granatan-3-ol alpha-hydroxy-alpha-phenylcyclohexylacetyl ester [German]9-Azabicyclo(3.3.1)nonan-3-alpha-ol, alpha-hydroxy-alpha-phenylcyclohexaneacetateCyclohexaneglycolic acid, alpha-phenyl-, 9-methyl-9-azabicyclo(3.3.1)non-3-alpha-yl esterN-Methyl-granatan-3-ol alpha-hydroxy-alpha-phenylcyclohexylacetyl esterRefChem:335369DTXSID609845399-Methyl-9-azabicyclo[3.3.1]nonan-3-yl cyclohexyl(hydroxy)(phenyl)acetate
Show more names
9-Methyl-9-azabicyclo[3.3.1]nonan-3-yl cyclohexyl(hydroxy)phenylacetate
Database identifiers
- CAS
6606-10-6- PubChem CID
- 201707
Properties
Computed structural properties
- XLogP
- 4.9
- Topological polar surface area
- 49.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 5
- Heavy atoms
- 27
- Formal charge
- 0
- Complexity
- 498
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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