2-[2-(2-methoxyethoxy)ethyl]butanedioic acid

C9H16O6 — CID 174998177

IUPAC2-[2-(2-methoxyethoxy)ethyl]butanedioic acid
SMILESCOCCOCCC(CC(=O)O)C(=O)O
InChIInChI=1S/C9H16O6/c1-14-4-5-15-3-2-7(9(12)13)6-8(10)11/h7H,2-6H2,1H3,(H,10,11)(H,12,13)
InChIKeyDBAKQLKQMGWCLK-UHFFFAOYSA-N
MW220.22 g/mol
LogP0.22
Rot. Bonds9

About 2-[2-(2-methoxyethoxy)ethyl]butanedioic acid

2-[2-(2-methoxyethoxy)ethyl]butanedioic acid (PubChem CID 174998177) has the molecular formula C9H16O6 and a molecular weight of 220.22 g/mol. Its IUPAC name is 2-[2-(2-methoxyethoxy)ethyl]butanedioic acid.

Molecular Properties

Compound Name2-[2-(2-methoxyethoxy)ethyl]butanedioic acid
PubChem CID174998177
Molecular FormulaC9H16O6
Molecular Weight220.22 g/mol
Exact Mass220.09
IUPAC Name2-[2-(2-methoxyethoxy)ethyl]butanedioic acid
SMILESCOCCOCCC(CC(=O)O)C(=O)O
InChIInChI=1S/C9H16O6/c1-14-4-5-15-3-2-7(9(12)13)6-8(10)11/h7H,2-6H2,1H3,(H,10,11)(H,12,13)
InChIKeyDBAKQLKQMGWCLK-UHFFFAOYSA-N
XLogP0.22
TPSA93.06 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.22
LogP ≤ 50.22
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

2-(2-methoxyethyl)butanedioic acid
CID 13255587
(2R)-2-amino-4-[2-(2-methoxyethoxy)ethoxy]butanoic acid
CID 106702905
2-(2-trimethoxysilylethyl)butanedioic acid
CID 142550319
2-(3-methoxy-3-oxopropyl)butanedioic acid
CID 54112724
2-methoxycarbonyl-4-(2-methoxyethoxy)butanoic acid
CID 103973267
3-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]butanoic acid
CID 146502180
(2S)-2-propylbutanedioic acid
CID 12648185
2-(2-ethoxyethyl)-4-oxopentanoic acid
CID 57157218
2-(2-aminoethyl)-5-(2-methoxyethoxy)pentanoic acid
CID 103416670
hexane-1,2,5-tricarboxylic acid
CID 14251275
2-(aminomethyl)-4-methoxybutanoic acid;hydrochloride
CID 66545696
6-amino-2-[3-(2-methoxyethoxy)propyl]hexanoic acid
CID 103416672

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2-methoxyethoxy)ethyl]butanedioic acid?
The IUPAC name of 2-[2-(2-methoxyethoxy)ethyl]butanedioic acid (CID 174998177) is 2-[2-(2-methoxyethoxy)ethyl]butanedioic acid.
What is the SMILES notation for 2-[2-(2-methoxyethoxy)ethyl]butanedioic acid?
The canonical SMILES for 2-[2-(2-methoxyethoxy)ethyl]butanedioic acid is COCCOCCC(CC(=O)O)C(=O)O.
What is the InChIKey of 2-[2-(2-methoxyethoxy)ethyl]butanedioic acid?
The InChIKey is DBAKQLKQMGWCLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16O6/c1-14-4-5-15-3-2-7(9(12)13)6-8(10)11/h7H,2-6H2,1H3,(H,10,11)(H,12,13).
What are the key properties of 2-[2-(2-methoxyethoxy)ethyl]butanedioic acid?
2-[2-(2-methoxyethoxy)ethyl]butanedioic acid has a molecular weight of 220.22 g/mol, XLogP of 0.22, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2-methoxyethoxy)ethyl]butanedioic acid is sourced from PubChem (CID 174998177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).