Ethyl 2-(3-methyl-2,4,5-trioxocyclopentyl)-2-oxoacetate
Basic information
- CAS
781-38-4- Standard SMILES
CCOC(=O)C(=O)C1C(=O)C(=O)C(C)C1=O- InChIKey
ZOZZQXRJOZKHSK-UHFFFAOYSA-N- Molecular formula
- C10H10O6
- Average molar mass
- 226.18 g/mol
- Monoisotopic mass
- 226.04773803
Names & identifiers
- Preferred name
- Ethyl 2-(3-methyl-2,4,5-trioxocyclopentyl)-2-oxoacetate
- IUPAC
- ethyl 2-(3-methyl-2,4,5-trioxocyclopentyl)-2-oxoacetate
- English name
- ethyl 2-(3-methyl-2,4,5-trioxocyclopentyl)-2-oxoacetate
- Molecular formula
- C10H10O6
- Molecular weight
- 226.18
Names & synonyms
781-38-4ethyl 2-(3-methyl-2,4,5-trioxocyclopentyl)-2-oxoacetateethyl (3-methyl-2,4,5-trioxocyclopentyl)(oxo)acetateethyl(3-methyl-2,4,5-trioxocyclopentyl)(oxo)acetateNSC54457CBMicro_000292DTXSID50286756NSC47361SMSF0005926NSC-47361NSC-54457CB01493
Show more names
Cyclopentaneacetic acid, 3-methyl-α,2,4,5-tetraoxo-, ethyl ester2-(3-methyl-2,4,5-trioxocyclopentyl)-2-oxoacetic acid ethyl ester
DA-34531BIM-0000129.P001
Database identifiers
- CAS
781-38-4- PubChem CID
- 240733
- DTXSID
DTXSID50286756
Properties
Computed structural properties
- XLogP
- 0.4
- Topological polar surface area
- 94.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 4
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 394
Physicochemical properties
- Melting point
- 160 · 160-161 °C
- Boiling point
- 397.6 · 397.6±42.0 °C(Predicted)
- Density
- 1.362 · 1.362±0.06 g/cm3(Predicted)
- pka
- 0.76 · 0.76±0.40(Predicted)
Chemistry & industry
Upstream & downstream products
Downstream products
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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