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'}

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Related Compounds

3-[2-[2-(2-carboxyethoxy)ethoxy]ethoxy]propanoic acid
CID 13225972
3-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoic acid
CID 71310695
3-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoic acid
CID 91757835
3-[2-[2-[2-[2-[2-[2-[2-[2-(2-ethoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoic acid
CID 155128339
3-(2,2-dimethylpropoxy)-2,2-dimethylpropanoic acid
CID 89019096
4-[2-[2-(2-carboxyethoxy)ethoxy]ethoxy]butanoic acid
CID 75202538
benzene;3-(2-ethoxyethoxy)propanoic acid
CID 174652454
3-[2-[2-[2-[2-[2-[2-[2-[2-(3-methoxy-3-oxopropoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoic acid
CID 172894169
2,2-dimethyl-3-[2-[2-[2-[2-[2-[2-[2-[2-(propylamino)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoic acid
CID 166167995
3-hexoxy-2,2-dimethylpropanoic acid
CID 79622011
3-[2-[2-[2-[2-[2-[2-(2-sulfanylethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoic acid
CID 121233560
3-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoic acid
CID 53433573

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).