2-[2-(2-methoxyethoxy)ethoxy]propanoate

C8H15O5- — CID 18318699

IUPAC2-[2-(2-methoxyethoxy)ethoxy]propanoate
SMILESCOCCOCCOC(C)C(=O)[O-]
InChIInChI=1S/C8H16O5/c1-7(8(9)10)13-6-5-12-4-3-11-2/h7H,3-6H2,1-2H3,(H,9,10)/p-1
InChIKeyICUQKOOCTBJFHS-UHFFFAOYSA-M
MW191.20 g/mol
LogP-1.20
Rot. Bonds8

About 2-[2-(2-methoxyethoxy)ethoxy]propanoate

2-[2-(2-methoxyethoxy)ethoxy]propanoate (PubChem CID 18318699) has the molecular formula C8H15O5- and a molecular weight of 191.20 g/mol. Its IUPAC name is 2-[2-(2-methoxyethoxy)ethoxy]propanoate.

Molecular Properties

Compound Name2-[2-(2-methoxyethoxy)ethoxy]propanoate
PubChem CID18318699
Molecular FormulaC8H15O5-
Molecular Weight191.20 g/mol
Exact Mass191.09
IUPAC Name2-[2-(2-methoxyethoxy)ethoxy]propanoate
SMILESCOCCOCCOC(C)C(=O)[O-]
InChIInChI=1S/C8H16O5/c1-7(8(9)10)13-6-5-12-4-3-11-2/h7H,3-6H2,1-2H3,(H,9,10)/p-1
InChIKeyICUQKOOCTBJFHS-UHFFFAOYSA-M
XLogP-1.20
TPSA67.82 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.20
LogP ≤ 5-1.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 2-[2-(2-methoxyethoxy)ethoxy]propanoate 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

1-methoxy-2-[2-(2-methoxyethoxy)ethoxy]ethane carbonate
CID 23366578
2-(2-hydroxyethoxy)propanoate
CID 19884519
(2S)-3-[2-(2-methoxyethoxy)ethoxy]-2-methylpropanoate
CID 140579321
2-[2-(3-methoxypropoxy)ethoxy]propanamide
CID 103179570
2-[2-(2-methoxyethoxy)ethoxy]butanoic acid
CID 18318696
sodium 2-butoxypropanoate
CID 141029680
2-[2-(2-methoxyethoxy)ethoxy]hexanoate
CID 18318667
1,2-bis[2-(2-methoxyethoxy)ethoxy]ethane-1,2-diol
CID 155319585
2-(2-methoxyethoxy)-3-[2-(2-methoxyethoxy)ethoxy]butanedioic acid
CID 90913494
(2S)-2-[2-(2-methoxyethoxy)ethoxy]propan-1-amine
CID 102416894
2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]propan-1-ol
CID 78062387
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

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2-methoxyethoxy)ethoxy]propanoate?
The IUPAC name of 2-[2-(2-methoxyethoxy)ethoxy]propanoate (CID 18318699) is 2-[2-(2-methoxyethoxy)ethoxy]propanoate.
What is the SMILES notation for 2-[2-(2-methoxyethoxy)ethoxy]propanoate?
The canonical SMILES for 2-[2-(2-methoxyethoxy)ethoxy]propanoate is COCCOCCOC(C)C(=O)[O-].
What is the InChIKey of 2-[2-(2-methoxyethoxy)ethoxy]propanoate?
The InChIKey is ICUQKOOCTBJFHS-UHFFFAOYSA-M. The full InChI is InChI=1S/C8H16O5/c1-7(8(9)10)13-6-5-12-4-3-11-2/h7H,3-6H2,1-2H3,(H,9,10)/p-1.
What are the key properties of 2-[2-(2-methoxyethoxy)ethoxy]propanoate?
2-[2-(2-methoxyethoxy)ethoxy]propanoate has a molecular weight of 191.20 g/mol, XLogP of -1.20, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2-methoxyethoxy)ethoxy]propanoate is sourced from PubChem (CID 18318699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).