2-(2-ethoxyethoxy)-2-methoxyacetic acid

C7H14O5 — CID 11376371

IUPAC2-(2-ethoxyethoxy)-2-methoxyacetic acid
SMILESCCOCCOC(OC)C(=O)O
InChIInChI=1S/C7H14O5/c1-3-11-4-5-12-7(10-2)6(8)9/h7H,3-5H2,1-2H3,(H,8,9)
InChIKeyRQXVPZVKTNXIFO-UHFFFAOYSA-N
MW178.18 g/mol
LogP0.10
Rot. Bonds7

About 2-(2-ethoxyethoxy)-2-methoxyacetic acid

2-(2-ethoxyethoxy)-2-methoxyacetic acid (PubChem CID 11376371) has the molecular formula C7H14O5 and a molecular weight of 178.18 g/mol. Its IUPAC name is 2-(2-ethoxyethoxy)-2-methoxyacetic acid.

Molecular Properties

Compound Name2-(2-ethoxyethoxy)-2-methoxyacetic acid
PubChem CID11376371
Molecular FormulaC7H14O5
Molecular Weight178.18 g/mol
Exact Mass178.08
IUPAC Name2-(2-ethoxyethoxy)-2-methoxyacetic acid
SMILESCCOCCOC(OC)C(=O)O
InChIInChI=1S/C7H14O5/c1-3-11-4-5-12-7(10-2)6(8)9/h7H,3-5H2,1-2H3,(H,8,9)
InChIKeyRQXVPZVKTNXIFO-UHFFFAOYSA-N
XLogP0.10
TPSA64.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.18
LogP ≤ 50.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

Analyze 2-(2-ethoxyethoxy)-2-methoxyacetic 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 2-(2-ethoxyethoxy)-2-methoxyacetic acid?
The IUPAC name of 2-(2-ethoxyethoxy)-2-methoxyacetic acid (CID 11376371) is 2-(2-ethoxyethoxy)-2-methoxyacetic acid.
What is the SMILES notation for 2-(2-ethoxyethoxy)-2-methoxyacetic acid?
The canonical SMILES for 2-(2-ethoxyethoxy)-2-methoxyacetic acid is CCOCCOC(OC)C(=O)O.
What is the InChIKey of 2-(2-ethoxyethoxy)-2-methoxyacetic acid?
The InChIKey is RQXVPZVKTNXIFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14O5/c1-3-11-4-5-12-7(10-2)6(8)9/h7H,3-5H2,1-2H3,(H,8,9).
What are the key properties of 2-(2-ethoxyethoxy)-2-methoxyacetic acid?
2-(2-ethoxyethoxy)-2-methoxyacetic acid has a molecular weight of 178.18 g/mol, XLogP of 0.10, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-ethoxyethoxy)-2-methoxyacetic acid is sourced from PubChem (CID 11376371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).