5-methoxy-4-oxopentanoic acid

C6H10O4 — CID 66337896

IUPAC5-methoxy-4-oxopentanoic acid
SMILESCOCC(=O)CCC(=O)O
InChIInChI=1S/C6H10O4/c1-10-4-5(7)2-3-6(8)9/h2-4H2,1H3,(H,8,9)
InChIKeyRMBANKNGTIDOSZ-UHFFFAOYSA-N
MW146.14 g/mol
LogP0.07
Rot. Bonds5

About 5-methoxy-4-oxopentanoic acid

5-methoxy-4-oxopentanoic acid (PubChem CID 66337896) has the molecular formula C6H10O4 and a molecular weight of 146.14 g/mol. Its IUPAC name is 5-methoxy-4-oxopentanoic acid.

Molecular Properties

Compound Name5-methoxy-4-oxopentanoic acid
PubChem CID66337896
Molecular FormulaC6H10O4
Molecular Weight146.14 g/mol
Exact Mass146.06
IUPAC Name5-methoxy-4-oxopentanoic acid
SMILESCOCC(=O)CCC(=O)O
InChIInChI=1S/C6H10O4/c1-10-4-5(7)2-3-6(8)9/h2-4H2,1H3,(H,8,9)
InChIKeyRMBANKNGTIDOSZ-UHFFFAOYSA-N
XLogP0.07
TPSA63.60 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500146.14
LogP ≤ 50.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-methoxy-4-oxopentanoic acid?
The IUPAC name of 5-methoxy-4-oxopentanoic acid (CID 66337896) is 5-methoxy-4-oxopentanoic acid.
What is the SMILES notation for 5-methoxy-4-oxopentanoic acid?
The canonical SMILES for 5-methoxy-4-oxopentanoic acid is COCC(=O)CCC(=O)O.
What is the InChIKey of 5-methoxy-4-oxopentanoic acid?
The InChIKey is RMBANKNGTIDOSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10O4/c1-10-4-5(7)2-3-6(8)9/h2-4H2,1H3,(H,8,9).
What are the key properties of 5-methoxy-4-oxopentanoic acid?
5-methoxy-4-oxopentanoic acid has a molecular weight of 146.14 g/mol, XLogP of 0.07, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxy-4-oxopentanoic acid is sourced from PubChem (CID 66337896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).