(4-Ethoxy-2-oxo-cyclopent-3-enyl)oxo-acetic acid tert-butyl ester

HCID 58713641
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Basic information

Standard SMILES
CCOC1=CC(=O)C(C(=O)C(=O)OC(C)(C)C)C1
InChIKey
AFCHHJOZMYNWKW-UHFFFAOYSA-N
Molecular formula
C13H18O5
Average molar mass
254.28 g/mol
Monoisotopic mass
254.11542367

Names & identifiers

Preferred name
(4-Ethoxy-2-oxo-cyclopent-3-enyl)oxo-acetic acid tert-butyl ester
IUPAC
tert-butyl 2-(4-ethoxy-2-oxocyclopent-3-en-1-yl)-2-oxoacetate

Names & synonyms

SCHEMBL4467954AFCHHJOZMYNWKW-UHFFFAOYSA-N(4-Ethoxy-2-oxo-cyclopent-3-enyl)-oxo-acetic acid tert-butyl ester(4-Ethoxy-2-oxo-cyclopent-3-enyl)oxo-acetic acid tert-butyl ester

Database identifiers

PubChem CID
58713641

Properties

Computed structural properties

XLogP
1.6
Topological polar surface area
69.7 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
5
Rotatable bonds
6
Heavy atoms
18

Related reactions

1 records
New reaction record

Compound notes

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