Basic information
- CAS
93101-36-1- Standard SMILES
C=C(C)C#CC(O)(C(=O)OCC1=CCN(C)CC1)c1ccccc1- InChIKey
FODUEESCYFGXMP-UHFFFAOYSA-N- Molecular formula
- C20H23NO3
- Average molar mass
- 325.4 g/mol
- Monoisotopic mass
- 325.1677936
Names & identifiers
- Preferred name
- (1-Methyl-1,2,3,6-tetrahydropyridin-4-yl)methyl 2-hydroxy-5-methyl-2-phenylhex-5-en-3-ynoate
- IUPAC
- (1-methyl-3,6-dihydro-2H-pyridin-4-yl)methyl 2-hydroxy-5-methyl-2-phenylhex-5-en-3-ynoate
Names & synonyms
93101-36-1DTXSID20918714(1-methyl-1,2,3,6-tetrahydropyridin-4-yl)methyl 2-hydroxy-5-methyl-2-phenylhex-5-en-3-ynoateRefChem:1049267DTXCID301347660Mandelic acid, alpha-(3-methylbut-1-yn-3-en-1-yl)-, (1-methyl-1,2,3,6-tetrahydro-4-pyridyl)methyl ester4-(1-Methyl-1,2,3,6-tetrahydropyridine)methyl phenyl(3-methyl-but-1-yn-3-enyl)glycolate
Database identifiers
- CAS
93101-36-1- PubChem CID
- 56542
- DTXSID
DTXSID20918714- Nikkaji
- J147.718H
Properties
Computed structural properties
- XLogP
- 2.9
- Topological polar surface area
- 49.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 7
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 574
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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