Basic information
- CAS
94088-20-7- Standard SMILES
CCOC(=O)C1(C)C(=O)C(=O)OC1CC- InChIKey
MDCJZBLMUIGLDD-UHFFFAOYSA-N- Molecular formula
- C10H14O5
- Average molar mass
- 214.21 g/mol
- Monoisotopic mass
- 214.08412354
Names & identifiers
- Preferred name
- Ethyl 2-ethyltetrahydro-3-methyl-4,5-dioxo-3-furoate
- IUPAC
- ethyl 2-ethyl-3-methyl-4,5-dioxooxolane-3-carboxylate
- English name
- ethyl 2-ethyltetrahydro-3-methyl-4,5-dioxo-3-furoate
- Molecular formula
- C10H14O5
- Molecular weight
- 214.22
Names & synonyms
94088-20-7Ethyl 2-ethyl-3-methyl-4,5-dioxotetrahydrofuran-3-carboxylateEthyl 2-ethyltetrahydro-3-methyl-4,5-dioxo-3-furoateEINECS 302-018-7ethyl 2-ethyl-3-methyl-4,5-dioxooxolane-3-carboxylateDTXSID20916533MDCJZBLMUIGLDD-UHFFFAOYSA-NNS000648822-Ethyl-3-methyl-4,5-dioxotetrahydrofuran-3-carboxylic acid ethyl ester3-Furancarboxylic acid, 2-ethyltetrahydro-3-methyl-4,5-dioxo-, ethyl ester
Database identifiers
- CAS
94088-20-7- PubChem CID
- 44149232
- DTXSID
DTXSID20916533- EC Number
- 302-018-7
- Nikkaji
- J288.526C
Properties
Computed structural properties
- XLogP
- 1.5
- Topological polar surface area
- 69.7 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 4
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 309
Physicochemical properties
- Boiling point
- 344.2 · 344.2±31.0 °C(Predicted)
- Density
- 1.171 · 1.171±0.06 g/cm3(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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