Basic information
- CAS
101711-08-4- Standard SMILES
C=C(C)C#C[C@@](O)(C(=O)OC1CCC2CCC1N2C)c1ccccc1- InChIKey
UFZHUZNAQSRPME-GJFGYCNFSA-N- Molecular formula
- C21H25NO3
- Average molar mass
- 339.4 g/mol
- Monoisotopic mass
- 339.18344366
Names & identifiers
- Preferred name
- Mandelic acid, alpha-(3-methyl-1-butyn-3-enyl)-, 2-alpha-tropanyl ester, L-(+)-
- IUPAC
- (8-methyl-8-azabicyclo[3.2.1]octan-2-yl) (2R)-2-hydroxy-5-methyl-2-phenylhex-5-en-3-ynoate
Names & synonyms
L-(+)-2-alpha-Tropanyl phenyl(3-methyl-3-buten-1-ynyl)glycolate101711-08-4MANDELIC ACID, alpha-(3-METHYL-1-BUTYN-3-ENYL)-, 2-alpha-TROPANYL ESTER, L-(+)-RefChem:351910DTXSID509065638-Methyl-8-azabicyclo[3.2.1]octan-2-yl 2-hydroxy-5-methyl-2-phenylhex-5-en-3-ynoate8-METHYL-8-AZABICYCLO[3.2.1]OCTAN-2-YL (2R)-2-HYDROXY-5-METHYL-2-PHENYLHEX-5-EN-3-YNOATE
Database identifiers
- CAS
101711-08-4- PubChem CID
- 58818
- DTXSID
DTXSID50906563
Properties
Computed structural properties
- XLogP
- 4
- Topological polar surface area
- 49.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 6
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 595
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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