8-[2-(2-methoxyethoxy)ethoxy]octanoic acid

C13H26O5 — CID 71723586

IUPAC8-[2-(2-methoxyethoxy)ethoxy]octanoic acid
SMILESCOCCOCCOCCCCCCCC(=O)O
InChIInChI=1S/C13H26O5/c1-16-9-10-18-12-11-17-8-6-4-2-3-5-7-13(14)15/h2-12H2,1H3,(H,14,15)
InChIKeyAGSKIYCUDCEVNJ-UHFFFAOYSA-N
MW262.35 g/mol
LogP2.09
Rot. Bonds14

About 8-[2-(2-methoxyethoxy)ethoxy]octanoic acid

8-[2-(2-methoxyethoxy)ethoxy]octanoic acid (PubChem CID 71723586) has the molecular formula C13H26O5 and a molecular weight of 262.35 g/mol. Its IUPAC name is 8-[2-(2-methoxyethoxy)ethoxy]octanoic acid.

Molecular Properties

Compound Name8-[2-(2-methoxyethoxy)ethoxy]octanoic acid
PubChem CID71723586
Molecular FormulaC13H26O5
Molecular Weight262.35 g/mol
Exact Mass262.18
IUPAC Name8-[2-(2-methoxyethoxy)ethoxy]octanoic acid
SMILESCOCCOCCOCCCCCCCC(=O)O
InChIInChI=1S/C13H26O5/c1-16-9-10-18-12-11-17-8-6-4-2-3-5-7-13(14)15/h2-12H2,1H3,(H,14,15)
InChIKeyAGSKIYCUDCEVNJ-UHFFFAOYSA-N
XLogP2.09
TPSA64.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds14
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.35
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 8-[2-(2-methoxyethoxy)ethoxy]octanoic acid?
The IUPAC name of 8-[2-(2-methoxyethoxy)ethoxy]octanoic acid (CID 71723586) is 8-[2-(2-methoxyethoxy)ethoxy]octanoic acid.
What is the SMILES notation for 8-[2-(2-methoxyethoxy)ethoxy]octanoic acid?
The canonical SMILES for 8-[2-(2-methoxyethoxy)ethoxy]octanoic acid is COCCOCCOCCCCCCCC(=O)O.
What is the InChIKey of 8-[2-(2-methoxyethoxy)ethoxy]octanoic acid?
The InChIKey is AGSKIYCUDCEVNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26O5/c1-16-9-10-18-12-11-17-8-6-4-2-3-5-7-13(14)15/h2-12H2,1H3,(H,14,15).
What are the key properties of 8-[2-(2-methoxyethoxy)ethoxy]octanoic acid?
8-[2-(2-methoxyethoxy)ethoxy]octanoic acid has a molecular weight of 262.35 g/mol, XLogP of 2.09, 14 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[2-(2-methoxyethoxy)ethoxy]octanoic acid is sourced from PubChem (CID 71723586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).