5-ethoxy-2-methylidene-4,5-dioxopentanoic acid

C8H10O5 — CID 87224646

IUPAC5-ethoxy-2-methylidene-4,5-dioxopentanoic acid
SMILESC=C(CC(=O)C(=O)OCC)C(=O)O
InChIInChI=1S/C8H10O5/c1-3-13-8(12)6(9)4-5(2)7(10)11/h2-4H2,1H3,(H,10,11)
InChIKeyVZIMIJUMXNTSKD-UHFFFAOYSA-N
MW186.16 g/mol
LogP0.15
Rot. Bonds5

About 5-ethoxy-2-methylidene-4,5-dioxopentanoic acid

5-ethoxy-2-methylidene-4,5-dioxopentanoic acid (PubChem CID 87224646) has the molecular formula C8H10O5 and a molecular weight of 186.16 g/mol. Its IUPAC name is 5-ethoxy-2-methylidene-4,5-dioxopentanoic acid.

Molecular Properties

Compound Name5-ethoxy-2-methylidene-4,5-dioxopentanoic acid
PubChem CID87224646
Molecular FormulaC8H10O5
Molecular Weight186.16 g/mol
Exact Mass186.05
IUPAC Name5-ethoxy-2-methylidene-4,5-dioxopentanoic acid
SMILESC=C(CC(=O)C(=O)OCC)C(=O)O
InChIInChI=1S/C8H10O5/c1-3-13-8(12)6(9)4-5(2)7(10)11/h2-4H2,1H3,(H,10,11)
InChIKeyVZIMIJUMXNTSKD-UHFFFAOYSA-N
XLogP0.15
TPSA80.67 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.16
LogP ≤ 50.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-ethoxy-2-methylidene-4,5-dioxopentanoic acid?
The IUPAC name of 5-ethoxy-2-methylidene-4,5-dioxopentanoic acid (CID 87224646) is 5-ethoxy-2-methylidene-4,5-dioxopentanoic acid.
What is the SMILES notation for 5-ethoxy-2-methylidene-4,5-dioxopentanoic acid?
The canonical SMILES for 5-ethoxy-2-methylidene-4,5-dioxopentanoic acid is C=C(CC(=O)C(=O)OCC)C(=O)O.
What is the InChIKey of 5-ethoxy-2-methylidene-4,5-dioxopentanoic acid?
The InChIKey is VZIMIJUMXNTSKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10O5/c1-3-13-8(12)6(9)4-5(2)7(10)11/h2-4H2,1H3,(H,10,11).
What are the key properties of 5-ethoxy-2-methylidene-4,5-dioxopentanoic acid?
5-ethoxy-2-methylidene-4,5-dioxopentanoic acid has a molecular weight of 186.16 g/mol, XLogP of 0.15, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethoxy-2-methylidene-4,5-dioxopentanoic acid is sourced from PubChem (CID 87224646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).