Basic information
- Standard SMILES
CCOC(=O)c1cc(CC(C)OC2CCCCO2)on1- InChIKey
SHVLOCKEKFTTNU-UHFFFAOYSA-N- Molecular formula
- C14H21NO5
- Average molar mass
- 283.32 g/mol
- Monoisotopic mass
- 283.14197277
Names & identifiers
- Preferred name
- Ethyl 5-(2-((tetrahydro-2H-pyran-2-yl)oxy)propyl)isoxazole-3-carboxylate
- IUPAC
- ethyl 5-[2-(oxan-2-yloxy)propyl]-1,2-oxazole-3-carboxylate
Names & synonyms
Ethyl 5-(2-((tetrahydro-2H-pyran-2-yl)oxy)propyl)isoxazole-3-carboxylateSCHEMBL1811154SHVLOCKEKFTTNU-UHFFFAOYSA-NDB-142383Ethyl 5-(2-(tetrahydro-2H-pyran-2-yloxy)propyl)isoxazole-3-carboxylate1297546-32-7
Database identifiers
- PubChem CID
- 67170271
Properties
Computed structural properties
- XLogP
- 2.4
- Topological polar surface area
- 70.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 7
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 312
Related reactions
2 records
Compound notes
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