Basic information
- Standard SMILES
CCOC(=O)C(C(=O)C(C)C)c1ccco1- InChIKey
PQXFFIAZAUJSOR-UHFFFAOYSA-N- Molecular formula
- C12H16O4
- Average molar mass
- 224.25 g/mol
- Monoisotopic mass
- 224.10485899
Names & identifiers
- Preferred name
- Ethyl 2-(furan-2-yl)-4-methyl-3-oxopentanoate
- IUPAC
- ethyl 2-(furan-2-yl)-4-methyl-3-oxopentanoate
Names & synonyms
SCHEMBL15261579PQXFFIAZAUJSOR-UHFFFAOYSA-Nethyl 2-(furan-2-yl)-4-methyl-3-oxopentanoate
Database identifiers
- PubChem CID
- 86697474
Properties
Computed structural properties
- XLogP
- 2.2
- Topological polar surface area
- 56.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 6
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 260
Related reactions
2 records
Compound notes
Loading…