Basic information
- CAS
26457-97-6- Standard SMILES
CCCCOC1C=CCC(C(=O)OCC)O1- InChIKey
LTGVVRZAQNPRPS-UHFFFAOYSA-N- Molecular formula
- C12H20O4
- Average molar mass
- 228.28 g/mol
- Monoisotopic mass
- 228.13615911
Names & identifiers
- Preferred name
- Ethyl 6-butoxy-3,6-dihydro-2H-pyran-2-carboxylate
- IUPAC
- ethyl 6-butoxy-3,6-dihydro-2H-pyran-2-carboxylate
- English name
- 6-Butoxy-3,6-dihydro-2H-pyran-2-carboxylic acid ethyl ester
- Molecular formula
- C12H20O4
- Molecular weight
- 228.28
Names & synonyms
Ethyl 6-butoxy-3,6-dihydro-2H-pyran-2-carboxylateDTXSID0034392426457-97-6RefChem:344529DTXCID50295000LTGVVRZAQNPRPS-UHFFFAOYSA-N2H-Pyran-2-carboxylic acid, 6-butoxy-3,6-dihydro-, ethyl esterEthyl 6-butoxy-3,6-dihydro-2H-pyran-2-carboxylate #6-Butoxy-3,6-dihydro-2H-pyran-2-carboxylic acid ethyl ester
Database identifiers
- CAS
26457-97-6- PubChem CID
- 593200
- DTXSID
DTXSID00343924- Nikkaji
- J104.723J
Properties
Computed structural properties
- XLogP
- 2.3
- Topological polar surface area
- 44.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 7
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 237
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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