Basic information
- CAS
23033-97-8- Standard SMILES
CCOC(=O)C1C(=O)C(=O)C(C(=O)OCC)C1C- InChIKey
NYYROUZBOZYRNE-UHFFFAOYSA-N- Molecular formula
- C12H16O6
- Average molar mass
- 256.25 g/mol
- Monoisotopic mass
- 256.09468823
Names & identifiers
- Preferred name
- 1,3-Cyclopentanedicarboxylic acid, 2-methyl-4,5-dioxo-, 1,3-diethyl ester
- IUPAC
- diethyl 2-methyl-4,5-dioxocyclopentane-1,3-dicarboxylate
Names & synonyms
EINECS 245-390-5DTXSID308852261,3-Cyclopentanedicarboxylic acid, 2-methyl-4,5-dioxo-, diethyl ester1,3-Cyclopentanedicarboxylic acid, 2-methyl-4,5-dioxo-, 1,3-diethyl esterDiethyl 4,5-dioxo-2-methyl-1,3-cyclopentanedicarboxylateRefChem:414186DTXCID20102461923033-97-8Diethyl 2-methyl-4,5-dioxo-1,3-cyclopentanecarboxylatediethyl 2-methyl-4,5-dioxocyclopentane-1,3-dicarboxylateNYYROUZBOZYRNE-UHFFFAOYSA-NNS00048885
Show more names
DIETHYL 2-METHYL-4,5-DIOXO-1,3-CYCLOPENTANEDICARBOXYLATE
Database identifiers
- CAS
23033-97-8- PubChem CID
- 90873
- DTXSID
DTXSID30885226- EC Number
- 245-390-5
- Nikkaji
- J318.386F
Properties
Computed structural properties
- XLogP
- 1
- Topological polar surface area
- 86.7 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 6
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 350
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Hazard information
Regulatory InformationChemical: 1,3-Cyclopentanedicarboxylic acid, 2-methyl-4,5-dioxo-, diethyl ester
Other Safety InformationEvaluation - Chemicals not considered for in depth evaluation - Not commercially active in Australia
Chemistry & industry
Uses & manufacturing
General Manufacturing Information1,3-Cyclopentanedicarboxylic acid, 2-methyl-4,5-dioxo-, 1,3-diethyl ester: INACTIVE
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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