3-[2-(2-carboxyethoxy)ethoxy]-2,2-dimethylpropanoic acid

C10H18O6 — CID 88690128

IUPAC3-[2-(2-carboxyethoxy)ethoxy]-2,2-dimethylpropanoic acid
SMILESCC(C)(COCCOCCC(=O)O)C(=O)O
InChIInChI=1S/C10H18O6/c1-10(2,9(13)14)7-16-6-5-15-4-3-8(11)12/h3-7H2,1-2H3,(H,11,12)(H,13,14)
InChIKeyILVRSWNIXOJUEY-UHFFFAOYSA-N
MW234.25 g/mol
LogP0.61
Rot. Bonds9

About 3-[2-(2-carboxyethoxy)ethoxy]-2,2-dimethylpropanoic acid

3-[2-(2-carboxyethoxy)ethoxy]-2,2-dimethylpropanoic acid (PubChem CID 88690128) has the molecular formula C10H18O6 and a molecular weight of 234.25 g/mol. Its IUPAC name is 3-[2-(2-carboxyethoxy)ethoxy]-2,2-dimethylpropanoic acid.

Molecular Properties

Compound Name3-[2-(2-carboxyethoxy)ethoxy]-2,2-dimethylpropanoic acid
PubChem CID88690128
Molecular FormulaC10H18O6
Molecular Weight234.25 g/mol
Exact Mass234.11
IUPAC Name3-[2-(2-carboxyethoxy)ethoxy]-2,2-dimethylpropanoic acid
SMILESCC(C)(COCCOCCC(=O)O)C(=O)O
InChIInChI=1S/C10H18O6/c1-10(2,9(13)14)7-16-6-5-15-4-3-8(11)12/h3-7H2,1-2H3,(H,11,12)(H,13,14)
InChIKeyILVRSWNIXOJUEY-UHFFFAOYSA-N
XLogP0.61
TPSA93.06 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.25
LogP ≤ 50.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 3-[2-(2-carboxyethoxy)ethoxy]-2,2-dimethylpropanoic 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 3-[2-(2-carboxyethoxy)ethoxy]-2,2-dimethylpropanoic acid?
The IUPAC name of 3-[2-(2-carboxyethoxy)ethoxy]-2,2-dimethylpropanoic acid (CID 88690128) is 3-[2-(2-carboxyethoxy)ethoxy]-2,2-dimethylpropanoic acid.
What is the SMILES notation for 3-[2-(2-carboxyethoxy)ethoxy]-2,2-dimethylpropanoic acid?
The canonical SMILES for 3-[2-(2-carboxyethoxy)ethoxy]-2,2-dimethylpropanoic acid is CC(C)(COCCOCCC(=O)O)C(=O)O.
What is the InChIKey of 3-[2-(2-carboxyethoxy)ethoxy]-2,2-dimethylpropanoic acid?
The InChIKey is ILVRSWNIXOJUEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18O6/c1-10(2,9(13)14)7-16-6-5-15-4-3-8(11)12/h3-7H2,1-2H3,(H,11,12)(H,13,14).
What are the key properties of 3-[2-(2-carboxyethoxy)ethoxy]-2,2-dimethylpropanoic acid?
3-[2-(2-carboxyethoxy)ethoxy]-2,2-dimethylpropanoic acid has a molecular weight of 234.25 g/mol, XLogP of 0.61, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(2-carboxyethoxy)ethoxy]-2,2-dimethylpropanoic acid is sourced from PubChem (CID 88690128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).