2-cyclopentyl-4-[2-(2-methoxyethoxy)ethoxy]butanoic acid

C14H26O5 — CID 113427269

IUPAC2-cyclopentyl-4-[2-(2-methoxyethoxy)ethoxy]butanoic acid
SMILESCOCCOCCOCCC(C(=O)O)C1CCCC1
InChIInChI=1S/C14H26O5/c1-17-8-9-19-11-10-18-7-6-13(14(15)16)12-4-2-3-5-12/h12-13H,2-11H2,1H3,(H,15,16)
InChIKeyAJWQAEJPKSMVPC-UHFFFAOYSA-N
MW274.36 g/mol
LogP1.95
Rot. Bonds11

About 2-cyclopentyl-4-[2-(2-methoxyethoxy)ethoxy]butanoic acid

2-cyclopentyl-4-[2-(2-methoxyethoxy)ethoxy]butanoic acid (PubChem CID 113427269) has the molecular formula C14H26O5 and a molecular weight of 274.36 g/mol. Its IUPAC name is 2-cyclopentyl-4-[2-(2-methoxyethoxy)ethoxy]butanoic acid.

Molecular Properties

Compound Name2-cyclopentyl-4-[2-(2-methoxyethoxy)ethoxy]butanoic acid
PubChem CID113427269
Molecular FormulaC14H26O5
Molecular Weight274.36 g/mol
Exact Mass274.18
IUPAC Name2-cyclopentyl-4-[2-(2-methoxyethoxy)ethoxy]butanoic acid
SMILESCOCCOCCOCCC(C(=O)O)C1CCCC1
InChIInChI=1S/C14H26O5/c1-17-8-9-19-11-10-18-7-6-13(14(15)16)12-4-2-3-5-12/h12-13H,2-11H2,1H3,(H,15,16)
InChIKeyAJWQAEJPKSMVPC-UHFFFAOYSA-N
XLogP1.95
TPSA64.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.36
LogP ≤ 51.95
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 2-cyclopentyl-4-[2-(2-methoxyethoxy)ethoxy]butanoic acid?
The IUPAC name of 2-cyclopentyl-4-[2-(2-methoxyethoxy)ethoxy]butanoic acid (CID 113427269) is 2-cyclopentyl-4-[2-(2-methoxyethoxy)ethoxy]butanoic acid.
What is the SMILES notation for 2-cyclopentyl-4-[2-(2-methoxyethoxy)ethoxy]butanoic acid?
The canonical SMILES for 2-cyclopentyl-4-[2-(2-methoxyethoxy)ethoxy]butanoic acid is COCCOCCOCCC(C(=O)O)C1CCCC1.
What is the InChIKey of 2-cyclopentyl-4-[2-(2-methoxyethoxy)ethoxy]butanoic acid?
The InChIKey is AJWQAEJPKSMVPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26O5/c1-17-8-9-19-11-10-18-7-6-13(14(15)16)12-4-2-3-5-12/h12-13H,2-11H2,1H3,(H,15,16).
What are the key properties of 2-cyclopentyl-4-[2-(2-methoxyethoxy)ethoxy]butanoic acid?
2-cyclopentyl-4-[2-(2-methoxyethoxy)ethoxy]butanoic acid has a molecular weight of 274.36 g/mol, XLogP of 1.95, 11 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopentyl-4-[2-(2-methoxyethoxy)ethoxy]butanoic acid is sourced from PubChem (CID 113427269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).