2-ethoxy-2-ethylbutanedioic acid

C8H14O5 — CID 21221933

IUPAC2-ethoxy-2-ethylbutanedioic acid
SMILESCCOC(CC)(CC(=O)O)C(=O)O
InChIInChI=1S/C8H14O5/c1-3-8(7(11)12,13-4-2)5-6(9)10/h3-5H2,1-2H3,(H,9,10)(H,11,12)
InChIKeyWMVLCKRAPDXKTF-UHFFFAOYSA-N
MW190.19 g/mol
LogP0.73
Rot. Bonds6

About 2-ethoxy-2-ethylbutanedioic acid

2-ethoxy-2-ethylbutanedioic acid (PubChem CID 21221933) has the molecular formula C8H14O5 and a molecular weight of 190.19 g/mol. Its IUPAC name is 2-ethoxy-2-ethylbutanedioic acid.

Molecular Properties

Compound Name2-ethoxy-2-ethylbutanedioic acid
PubChem CID21221933
Molecular FormulaC8H14O5
Molecular Weight190.19 g/mol
Exact Mass190.08
IUPAC Name2-ethoxy-2-ethylbutanedioic acid
SMILESCCOC(CC)(CC(=O)O)C(=O)O
InChIInChI=1S/C8H14O5/c1-3-8(7(11)12,13-4-2)5-6(9)10/h3-5H2,1-2H3,(H,9,10)(H,11,12)
InChIKeyWMVLCKRAPDXKTF-UHFFFAOYSA-N
XLogP0.73
TPSA83.83 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.19
LogP ≤ 50.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-ethoxy-2-ethylbutanedioic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-ethoxy-2-ethylbutanedioic acid?
The IUPAC name of 2-ethoxy-2-ethylbutanedioic acid (CID 21221933) is 2-ethoxy-2-ethylbutanedioic acid.
What is the SMILES notation for 2-ethoxy-2-ethylbutanedioic acid?
The canonical SMILES for 2-ethoxy-2-ethylbutanedioic acid is CCOC(CC)(CC(=O)O)C(=O)O.
What is the InChIKey of 2-ethoxy-2-ethylbutanedioic acid?
The InChIKey is WMVLCKRAPDXKTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14O5/c1-3-8(7(11)12,13-4-2)5-6(9)10/h3-5H2,1-2H3,(H,9,10)(H,11,12).
What are the key properties of 2-ethoxy-2-ethylbutanedioic acid?
2-ethoxy-2-ethylbutanedioic acid has a molecular weight of 190.19 g/mol, XLogP of 0.73, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-2-ethylbutanedioic acid is sourced from PubChem (CID 21221933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).