ethyl 5-ethoxy-2,4-dioxopentanoate

C9H14O5 — CID 88913008

IUPACethyl 5-ethoxy-2,4-dioxopentanoate
SMILESCCOCC(=O)CC(=O)C(=O)OCC
InChIInChI=1S/C9H14O5/c1-3-13-6-7(10)5-8(11)9(12)14-4-2/h3-6H2,1-2H3
InChIKeyGTSTWJLCOIWYRG-UHFFFAOYSA-N
MW202.21 g/mol
LogP0.11
Rot. Bonds7

About ethyl 5-ethoxy-2,4-dioxopentanoate

ethyl 5-ethoxy-2,4-dioxopentanoate (PubChem CID 88913008) has the molecular formula C9H14O5 and a molecular weight of 202.21 g/mol. Its IUPAC name is ethyl 5-ethoxy-2,4-dioxopentanoate.

Molecular Properties

Compound Nameethyl 5-ethoxy-2,4-dioxopentanoate
PubChem CID88913008
Molecular FormulaC9H14O5
Molecular Weight202.21 g/mol
Exact Mass202.08
IUPAC Nameethyl 5-ethoxy-2,4-dioxopentanoate
SMILESCCOCC(=O)CC(=O)C(=O)OCC
InChIInChI=1S/C9H14O5/c1-3-13-6-7(10)5-8(11)9(12)14-4-2/h3-6H2,1-2H3
InChIKeyGTSTWJLCOIWYRG-UHFFFAOYSA-N
XLogP0.11
TPSA69.67 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.21
LogP ≤ 50.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'diketo_group', 'substructure': 'N/A'}

Analyze ethyl 5-ethoxy-2,4-dioxopentanoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

diethyl 2,4,7,9-tetraoxodecanedioate
CID 46708599
methyl 4-ethoxy-3-oxobutanoate
CID 54303951
1-aminooxy-3-ethoxypropan-2-one
CID 163799340
ethyl 2,4-dioxo-5-phenylpentanoate
CID 11085699
1-ethoxy-3-(methylamino)propan-2-one
CID 116553693
ethyl 3-(2-hydroxyethoxy)-2-oxopropanoate
CID 139483424
ethoxyethane;bis(ethyl 2-ethoxyacetate)
CID 160643191
CID 159370772
CID 159370772
ethyl 4-(2-methoxy-2-oxoethoxy)-3-oxobutanoate
CID 13457217
ethyl 2-[(4-ethoxy-3-oxobutyl)amino]acetate
CID 163862980
potassium 2-ethoxy-2-oxoacetate
CID 23678856
1-ethoxy-4-methyliminohexane-2,5-dione
CID 23397368

Frequently Asked Questions

What is the IUPAC name of ethyl 5-ethoxy-2,4-dioxopentanoate?
The IUPAC name of ethyl 5-ethoxy-2,4-dioxopentanoate (CID 88913008) is ethyl 5-ethoxy-2,4-dioxopentanoate.
What is the SMILES notation for ethyl 5-ethoxy-2,4-dioxopentanoate?
The canonical SMILES for ethyl 5-ethoxy-2,4-dioxopentanoate is CCOCC(=O)CC(=O)C(=O)OCC.
What is the InChIKey of ethyl 5-ethoxy-2,4-dioxopentanoate?
The InChIKey is GTSTWJLCOIWYRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14O5/c1-3-13-6-7(10)5-8(11)9(12)14-4-2/h3-6H2,1-2H3.
What are the key properties of ethyl 5-ethoxy-2,4-dioxopentanoate?
ethyl 5-ethoxy-2,4-dioxopentanoate has a molecular weight of 202.21 g/mol, XLogP of 0.11, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-ethoxy-2,4-dioxopentanoate is sourced from PubChem (CID 88913008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).