2-(2-ethoxyethoxy)pentanoic acid

C9H18O4 — CID 83037428

IUPAC2-(2-ethoxyethoxy)pentanoic acid
SMILESCCCC(OCCOCC)C(=O)O
InChIInChI=1S/C9H18O4/c1-3-5-8(9(10)11)13-7-6-12-4-2/h8H,3-7H2,1-2H3,(H,10,11)
InChIKeyJTILUMXNCWXNEZ-UHFFFAOYSA-N
MW190.24 g/mol
LogP1.29
Rot. Bonds8

About 2-(2-ethoxyethoxy)pentanoic acid

2-(2-ethoxyethoxy)pentanoic acid (PubChem CID 83037428) has the molecular formula C9H18O4 and a molecular weight of 190.24 g/mol. Its IUPAC name is 2-(2-ethoxyethoxy)pentanoic acid.

Molecular Properties

Compound Name2-(2-ethoxyethoxy)pentanoic acid
PubChem CID83037428
Molecular FormulaC9H18O4
Molecular Weight190.24 g/mol
Exact Mass190.12
IUPAC Name2-(2-ethoxyethoxy)pentanoic acid
SMILESCCCC(OCCOCC)C(=O)O
InChIInChI=1S/C9H18O4/c1-3-5-8(9(10)11)13-7-6-12-4-2/h8H,3-7H2,1-2H3,(H,10,11)
InChIKeyJTILUMXNCWXNEZ-UHFFFAOYSA-N
XLogP1.29
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.24
LogP ≤ 51.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-(2-ethoxyethoxy)pentanoic 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-ethoxy-4-(2-propan-2-yloxyethoxy)butanoic acid
CID 63072762
2-[2-[2-[2-[2-(2-ethoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]propanoic acid
CID 172850156
2-[2-(2-methoxyethoxy)ethoxy]butanoic acid
CID 18318696
2-ethoxy-4-[2-ethoxyethyl(ethyl)amino]butanoic acid
CID 63692704
amino 2-[2-[2-(2-ethoxyethoxy)ethoxy]ethoxy]butanoate
CID 54098191
2-[2-(2-methylpropoxy)ethoxy]butanoic acid
CID 106446603
2-decoxydecanoic acid
CID 152638766
2-(2-ethoxyethoxy)-2-pentadecoxyacetic acid
CID 122611141
2-(3-nonoxypropoxy)hexanoic acid
CID 175887191
2-[2-[2-(2-ethoxyethoxy)ethoxy]ethoxy]-2-icosoxyacetic acid
CID 122612089
4-amino-2-[2-(2-methylpropoxy)ethoxy]butanoic acid
CID 106450669
2-(2-ethoxyethoxy)pentyl acetate
CID 87309415

Frequently Asked Questions

What is the IUPAC name of 2-(2-ethoxyethoxy)pentanoic acid?
The IUPAC name of 2-(2-ethoxyethoxy)pentanoic acid (CID 83037428) is 2-(2-ethoxyethoxy)pentanoic acid.
What is the SMILES notation for 2-(2-ethoxyethoxy)pentanoic acid?
The canonical SMILES for 2-(2-ethoxyethoxy)pentanoic acid is CCCC(OCCOCC)C(=O)O.
What is the InChIKey of 2-(2-ethoxyethoxy)pentanoic acid?
The InChIKey is JTILUMXNCWXNEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18O4/c1-3-5-8(9(10)11)13-7-6-12-4-2/h8H,3-7H2,1-2H3,(H,10,11).
What are the key properties of 2-(2-ethoxyethoxy)pentanoic acid?
2-(2-ethoxyethoxy)pentanoic acid has a molecular weight of 190.24 g/mol, XLogP of 1.29, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-ethoxyethoxy)pentanoic acid is sourced from PubChem (CID 83037428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).