2-(1-ethoxyethoxy)propanoic acid

C7H14O4 — CID 21286131

IUPAC2-(1-ethoxyethoxy)propanoic acid
SMILESCCOC(C)OC(C)C(=O)O
InChIInChI=1S/C7H14O4/c1-4-10-6(3)11-5(2)7(8)9/h5-6H,4H2,1-3H3,(H,8,9)
InChIKeyFRGRNGNKLISCCU-UHFFFAOYSA-N
MW162.18 g/mol
LogP0.86
Rot. Bonds5

About 2-(1-ethoxyethoxy)propanoic acid

2-(1-ethoxyethoxy)propanoic acid (PubChem CID 21286131) has the molecular formula C7H14O4 and a molecular weight of 162.18 g/mol. Its IUPAC name is 2-(1-ethoxyethoxy)propanoic acid.

Molecular Properties

Compound Name2-(1-ethoxyethoxy)propanoic acid
PubChem CID21286131
Molecular FormulaC7H14O4
Molecular Weight162.18 g/mol
Exact Mass162.09
IUPAC Name2-(1-ethoxyethoxy)propanoic acid
SMILESCCOC(C)OC(C)C(=O)O
InChIInChI=1S/C7H14O4/c1-4-10-6(3)11-5(2)7(8)9/h5-6H,4H2,1-3H3,(H,8,9)
InChIKeyFRGRNGNKLISCCU-UHFFFAOYSA-N
XLogP0.86
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.18
LogP ≤ 50.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(1-ethoxyethoxy)propanoic acid?
The IUPAC name of 2-(1-ethoxyethoxy)propanoic acid (CID 21286131) is 2-(1-ethoxyethoxy)propanoic acid.
What is the SMILES notation for 2-(1-ethoxyethoxy)propanoic acid?
The canonical SMILES for 2-(1-ethoxyethoxy)propanoic acid is CCOC(C)OC(C)C(=O)O.
What is the InChIKey of 2-(1-ethoxyethoxy)propanoic acid?
The InChIKey is FRGRNGNKLISCCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14O4/c1-4-10-6(3)11-5(2)7(8)9/h5-6H,4H2,1-3H3,(H,8,9).
What are the key properties of 2-(1-ethoxyethoxy)propanoic acid?
2-(1-ethoxyethoxy)propanoic acid has a molecular weight of 162.18 g/mol, XLogP of 0.86, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-ethoxyethoxy)propanoic acid is sourced from PubChem (CID 21286131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).