Ethyl 4,6-dimethyl-2-oxo-3,4-dihydro-2h-pyran-5-carboxylate
Basic information
- CAS
5450-21-5- Standard SMILES
CCOC(=O)C1=C(C)OC(=O)CC1C- InChIKey
ZJIWXABJOMRNLJ-UHFFFAOYSA-N- Molecular formula
- C10H14O4
- Average molar mass
- 198.22 g/mol
- Monoisotopic mass
- 198.08920892
Names & identifiers
- Preferred name
- Ethyl 4,6-dimethyl-2-oxo-3,4-dihydro-2h-pyran-5-carboxylate
- IUPAC
- ethyl 4,6-dimethyl-2-oxo-3,4-dihydropyran-5-carboxylate
Names & synonyms
5450-21-5ethyl 4,6-dimethyl-2-oxo-3,4-dihydro-2h-pyran-5-carboxylateNSC11003SCHEMBL29191966DTXSID50279002NSC-11003
Database identifiers
- CAS
5450-21-5- PubChem CID
- 223384
- DTXSID
DTXSID50279002
Properties
Computed structural properties
- XLogP
- 1.2
- Topological polar surface area
- 52.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 290
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…