2-ethyl-2-hydroxy-4-oxopentanoic acid

C7H12O4 — CID 88921535

IUPAC2-ethyl-2-hydroxy-4-oxopentanoic acid
SMILESCCC(O)(CC(C)=O)C(=O)O
InChIInChI=1S/C7H12O4/c1-3-7(11,6(9)10)4-5(2)8/h11H,3-4H2,1-2H3,(H,9,10)
InChIKeyVAEWBAYSDGGYSG-UHFFFAOYSA-N
MW160.17 g/mol
LogP0.19
Rot. Bonds4

About 2-ethyl-2-hydroxy-4-oxopentanoic acid

2-ethyl-2-hydroxy-4-oxopentanoic acid (PubChem CID 88921535) has the molecular formula C7H12O4 and a molecular weight of 160.17 g/mol. Its IUPAC name is 2-ethyl-2-hydroxy-4-oxopentanoic acid.

Molecular Properties

Compound Name2-ethyl-2-hydroxy-4-oxopentanoic acid
PubChem CID88921535
Molecular FormulaC7H12O4
Molecular Weight160.17 g/mol
Exact Mass160.07
IUPAC Name2-ethyl-2-hydroxy-4-oxopentanoic acid
SMILESCCC(O)(CC(C)=O)C(=O)O
InChIInChI=1S/C7H12O4/c1-3-7(11,6(9)10)4-5(2)8/h11H,3-4H2,1-2H3,(H,9,10)
InChIKeyVAEWBAYSDGGYSG-UHFFFAOYSA-N
XLogP0.19
TPSA74.60 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.17
LogP ≤ 50.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-ethyl-2-hydroxy-4-oxopentanoic acid?
The IUPAC name of 2-ethyl-2-hydroxy-4-oxopentanoic acid (CID 88921535) is 2-ethyl-2-hydroxy-4-oxopentanoic acid.
What is the SMILES notation for 2-ethyl-2-hydroxy-4-oxopentanoic acid?
The canonical SMILES for 2-ethyl-2-hydroxy-4-oxopentanoic acid is CCC(O)(CC(C)=O)C(=O)O.
What is the InChIKey of 2-ethyl-2-hydroxy-4-oxopentanoic acid?
The InChIKey is VAEWBAYSDGGYSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12O4/c1-3-7(11,6(9)10)4-5(2)8/h11H,3-4H2,1-2H3,(H,9,10).
What are the key properties of 2-ethyl-2-hydroxy-4-oxopentanoic acid?
2-ethyl-2-hydroxy-4-oxopentanoic acid has a molecular weight of 160.17 g/mol, XLogP of 0.19, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-2-hydroxy-4-oxopentanoic acid is sourced from PubChem (CID 88921535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).