5-methoxy-4-methyl-2,5-dioxopentanoic acid

C7H10O5 — CID 174869002

IUPAC5-methoxy-4-methyl-2,5-dioxopentanoic acid
SMILESCOC(=O)C(C)CC(=O)C(=O)O
InChIInChI=1S/C7H10O5/c1-4(7(11)12-2)3-5(8)6(9)10/h4H,3H2,1-2H3,(H,9,10)
InChIKeyAQRDVNYJXDPEQR-UHFFFAOYSA-N
MW174.15 g/mol
LogP-0.16
Rot. Bonds4

About 5-methoxy-4-methyl-2,5-dioxopentanoic acid

5-methoxy-4-methyl-2,5-dioxopentanoic acid (PubChem CID 174869002) has the molecular formula C7H10O5 and a molecular weight of 174.15 g/mol. Its IUPAC name is 5-methoxy-4-methyl-2,5-dioxopentanoic acid.

Molecular Properties

Compound Name5-methoxy-4-methyl-2,5-dioxopentanoic acid
PubChem CID174869002
Molecular FormulaC7H10O5
Molecular Weight174.15 g/mol
Exact Mass174.05
IUPAC Name5-methoxy-4-methyl-2,5-dioxopentanoic acid
SMILESCOC(=O)C(C)CC(=O)C(=O)O
InChIInChI=1S/C7H10O5/c1-4(7(11)12-2)3-5(8)6(9)10/h4H,3H2,1-2H3,(H,9,10)
InChIKeyAQRDVNYJXDPEQR-UHFFFAOYSA-N
XLogP-0.16
TPSA80.67 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.15
LogP ≤ 5-0.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-methoxy-4-methyl-2,5-dioxopentanoic acid?
The IUPAC name of 5-methoxy-4-methyl-2,5-dioxopentanoic acid (CID 174869002) is 5-methoxy-4-methyl-2,5-dioxopentanoic acid.
What is the SMILES notation for 5-methoxy-4-methyl-2,5-dioxopentanoic acid?
The canonical SMILES for 5-methoxy-4-methyl-2,5-dioxopentanoic acid is COC(=O)C(C)CC(=O)C(=O)O.
What is the InChIKey of 5-methoxy-4-methyl-2,5-dioxopentanoic acid?
The InChIKey is AQRDVNYJXDPEQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10O5/c1-4(7(11)12-2)3-5(8)6(9)10/h4H,3H2,1-2H3,(H,9,10).
What are the key properties of 5-methoxy-4-methyl-2,5-dioxopentanoic acid?
5-methoxy-4-methyl-2,5-dioxopentanoic acid has a molecular weight of 174.15 g/mol, XLogP of -0.16, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxy-4-methyl-2,5-dioxopentanoic acid is sourced from PubChem (CID 174869002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).