2-(2-methoxyethoxy)-3-[2-(2-methoxyethoxy)ethoxy]butanedioic acid

C12H22O9 — CID 90913494

IUPAC2-(2-methoxyethoxy)-3-[2-(2-methoxyethoxy)ethoxy]butanedioic acid
SMILESCOCCOCCOC(C(=O)O)C(OCCOC)C(=O)O
InChIInChI=1S/C12H22O9/c1-17-3-5-19-6-8-21-10(12(15)16)9(11(13)14)20-7-4-18-2/h9-10H,3-8H2,1-2H3,(H,13,14)(H,15,16)
InChIKeyODQVEQDLNOGTKP-UHFFFAOYSA-N
MW310.30 g/mol
LogP-0.76
Rot. Bonds14

About 2-(2-methoxyethoxy)-3-[2-(2-methoxyethoxy)ethoxy]butanedioic acid

2-(2-methoxyethoxy)-3-[2-(2-methoxyethoxy)ethoxy]butanedioic acid (PubChem CID 90913494) has the molecular formula C12H22O9 and a molecular weight of 310.30 g/mol. Its IUPAC name is 2-(2-methoxyethoxy)-3-[2-(2-methoxyethoxy)ethoxy]butanedioic acid.

Molecular Properties

Compound Name2-(2-methoxyethoxy)-3-[2-(2-methoxyethoxy)ethoxy]butanedioic acid
PubChem CID90913494
Molecular FormulaC12H22O9
Molecular Weight310.30 g/mol
Exact Mass310.13
IUPAC Name2-(2-methoxyethoxy)-3-[2-(2-methoxyethoxy)ethoxy]butanedioic acid
SMILESCOCCOCCOC(C(=O)O)C(OCCOC)C(=O)O
InChIInChI=1S/C12H22O9/c1-17-3-5-19-6-8-21-10(12(15)16)9(11(13)14)20-7-4-18-2/h9-10H,3-8H2,1-2H3,(H,13,14)(H,15,16)
InChIKeyODQVEQDLNOGTKP-UHFFFAOYSA-N
XLogP-0.76
TPSA120.75 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds14
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.30
LogP ≤ 5-0.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze 2-(2-methoxyethoxy)-3-[2-(2-methoxyethoxy)ethoxy]butanedioic acid with MolForge

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

Launch Full Analysis

Related Compounds

2-[2-(2-methoxyethoxy)ethoxy]butanoic acid
CID 18318696
1,2-bis[2-(2-methoxyethoxy)ethoxy]ethane-1,2-diol
CID 155319585
2-(3-methoxypropoxy)-3-methylbutanoic acid
CID 60918161
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)-3-[2-(2-methoxyethoxy)ethoxy]-2-methylpropanoic acid
CID 87267502
1-methoxy-2-[2-(2-methoxyethoxy)ethoxy]ethane
CID 8189
1-methoxy-2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethane
CID 87439194
1,2-dimethoxyethane;1-methoxy-2-(2-methoxyethoxy)ethane;1-methoxy-2-[2-(2-methoxyethoxy)ethoxy]ethane;1-methoxy-2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethane
CID 159847962
2,3-bis(2-hydroxyethoxy)butanedioic acid
CID 174652716
2-(2-methoxyethoxy)-2-[2-(2-methoxyethoxy)ethoxy]ethanol
CID 57080200
(2R)-2-amino-4-[2-(2-methoxyethoxy)ethoxy]butanoic acid
CID 106702905
2-[2-(2-methoxyethoxy)ethoxy]propanoate
CID 18318699

Frequently Asked Questions

What is the IUPAC name of 2-(2-methoxyethoxy)-3-[2-(2-methoxyethoxy)ethoxy]butanedioic acid?
The IUPAC name of 2-(2-methoxyethoxy)-3-[2-(2-methoxyethoxy)ethoxy]butanedioic acid (CID 90913494) is 2-(2-methoxyethoxy)-3-[2-(2-methoxyethoxy)ethoxy]butanedioic acid.
What is the SMILES notation for 2-(2-methoxyethoxy)-3-[2-(2-methoxyethoxy)ethoxy]butanedioic acid?
The canonical SMILES for 2-(2-methoxyethoxy)-3-[2-(2-methoxyethoxy)ethoxy]butanedioic acid is COCCOCCOC(C(=O)O)C(OCCOC)C(=O)O.
What is the InChIKey of 2-(2-methoxyethoxy)-3-[2-(2-methoxyethoxy)ethoxy]butanedioic acid?
The InChIKey is ODQVEQDLNOGTKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22O9/c1-17-3-5-19-6-8-21-10(12(15)16)9(11(13)14)20-7-4-18-2/h9-10H,3-8H2,1-2H3,(H,13,14)(H,15,16).
What are the key properties of 2-(2-methoxyethoxy)-3-[2-(2-methoxyethoxy)ethoxy]butanedioic acid?
2-(2-methoxyethoxy)-3-[2-(2-methoxyethoxy)ethoxy]butanedioic acid has a molecular weight of 310.30 g/mol, XLogP of -0.76, 14 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methoxyethoxy)-3-[2-(2-methoxyethoxy)ethoxy]butanedioic acid is sourced from PubChem (CID 90913494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).