4-ethoxy-2-ethyl-2,3-dihydroxy-4-oxobutanoic acid

C8H14O6 — CID 57278675

IUPAC4-ethoxy-2-ethyl-2,3-dihydroxy-4-oxobutanoic acid
SMILESCCOC(=O)C(O)C(O)(CC)C(=O)O
InChIInChI=1S/C8H14O6/c1-3-8(13,7(11)12)5(9)6(10)14-4-2/h5,9,13H,3-4H2,1-2H3,(H,11,12)
InChIKeyJDZRJPPYLAMSAY-UHFFFAOYSA-N
MW206.19 g/mol
LogP-0.86
Rot. Bonds5

About 4-ethoxy-2-ethyl-2,3-dihydroxy-4-oxobutanoic acid

4-ethoxy-2-ethyl-2,3-dihydroxy-4-oxobutanoic acid (PubChem CID 57278675) has the molecular formula C8H14O6 and a molecular weight of 206.19 g/mol. Its IUPAC name is 4-ethoxy-2-ethyl-2,3-dihydroxy-4-oxobutanoic acid.

Molecular Properties

Compound Name4-ethoxy-2-ethyl-2,3-dihydroxy-4-oxobutanoic acid
PubChem CID57278675
Molecular FormulaC8H14O6
Molecular Weight206.19 g/mol
Exact Mass206.08
IUPAC Name4-ethoxy-2-ethyl-2,3-dihydroxy-4-oxobutanoic acid
SMILESCCOC(=O)C(O)C(O)(CC)C(=O)O
InChIInChI=1S/C8H14O6/c1-3-8(13,7(11)12)5(9)6(10)14-4-2/h5,9,13H,3-4H2,1-2H3,(H,11,12)
InChIKeyJDZRJPPYLAMSAY-UHFFFAOYSA-N
XLogP-0.86
TPSA104.06 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.19
LogP ≤ 5-0.86
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-ethoxy-2-ethyl-2,3-dihydroxy-4-oxobutanoic acid?
The IUPAC name of 4-ethoxy-2-ethyl-2,3-dihydroxy-4-oxobutanoic acid (CID 57278675) is 4-ethoxy-2-ethyl-2,3-dihydroxy-4-oxobutanoic acid.
What is the SMILES notation for 4-ethoxy-2-ethyl-2,3-dihydroxy-4-oxobutanoic acid?
The canonical SMILES for 4-ethoxy-2-ethyl-2,3-dihydroxy-4-oxobutanoic acid is CCOC(=O)C(O)C(O)(CC)C(=O)O.
What is the InChIKey of 4-ethoxy-2-ethyl-2,3-dihydroxy-4-oxobutanoic acid?
The InChIKey is JDZRJPPYLAMSAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14O6/c1-3-8(13,7(11)12)5(9)6(10)14-4-2/h5,9,13H,3-4H2,1-2H3,(H,11,12).
What are the key properties of 4-ethoxy-2-ethyl-2,3-dihydroxy-4-oxobutanoic acid?
4-ethoxy-2-ethyl-2,3-dihydroxy-4-oxobutanoic acid has a molecular weight of 206.19 g/mol, XLogP of -0.86, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethoxy-2-ethyl-2,3-dihydroxy-4-oxobutanoic acid is sourced from PubChem (CID 57278675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).