Ethyl 4-(1,3-dioxoisoindol-2-YL)-2-methyl-3-oxo-pentanoate
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Basic information
- CAS
53100-42-8- Standard SMILES
CCOC(=O)C(C)C(=O)C(C)N1C(=O)c2ccccc2C1=O- InChIKey
PXUJMAWWBHGXFH-UHFFFAOYSA-N- Molecular formula
- C16H17NO5
- Average molar mass
- 303.31 g/mol
- Monoisotopic mass
- 303.11067264
Names & identifiers
- Preferred name
- Ethyl 4-(1,3-dioxoisoindol-2-YL)-2-methyl-3-oxo-pentanoate
- IUPAC
- ethyl 4-(1,3-dioxoisoindol-2-yl)-2-methyl-3-oxopentanoate
- English name
- ethyl 4-(1,3-dioxoisoindol-2-yl)-2-methyl-3-oxo-pentanoate
- Molecular formula
- C16H17NO5
- Molecular weight
- 303.31
Names & synonyms
53100-42-8NSC243026DTXSID90311410NSC-243026DB-297476ETHYL 4-(1,3-DIOXOISOINDOL-2-YL)-2-METHYL-3-OXO-PENTANOATEEthyl 4-(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)-2-methyl-3-oxopentanoate2H-Isoindole-2-butanoic acid, 1,3-dihydro-α,γ-dimethyl-β,1,3-trioxo-, ethyl ester
Database identifiers
- CAS
53100-42-8- PubChem CID
- 315950
- DTXSID
DTXSID90311410
Properties
Computed structural propertiesFilling in
- XLogP
- 2
- Topological polar surface area
- 80.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 6
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 477
Physicochemical properties
- Boiling point
- 420.1 · 420.1±25.0 °C(Predicted)
- Density
- 1.273 · 1.273±0.06 g/cm3(Predicted)
- pka
- 11.23 · 11.23±0.46(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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