4-(2-butoxyethoxy)pentanoic acid

C11H22O4 — CID 62213441

IUPAC4-(2-butoxyethoxy)pentanoic acid
SMILESCCCCOCCOC(C)CCC(=O)O
InChIInChI=1S/C11H22O4/c1-3-4-7-14-8-9-15-10(2)5-6-11(12)13/h10H,3-9H2,1-2H3,(H,12,13)
InChIKeyQQCNRTLNYHJHMF-UHFFFAOYSA-N
MW218.29 g/mol
LogP2.07
Rot. Bonds10

About 4-(2-butoxyethoxy)pentanoic acid

4-(2-butoxyethoxy)pentanoic acid (PubChem CID 62213441) has the molecular formula C11H22O4 and a molecular weight of 218.29 g/mol. Its IUPAC name is 4-(2-butoxyethoxy)pentanoic acid.

Molecular Properties

Compound Name4-(2-butoxyethoxy)pentanoic acid
PubChem CID62213441
Molecular FormulaC11H22O4
Molecular Weight218.29 g/mol
Exact Mass218.15
IUPAC Name4-(2-butoxyethoxy)pentanoic acid
SMILESCCCCOCCOC(C)CCC(=O)O
InChIInChI=1S/C11H22O4/c1-3-4-7-14-8-9-15-10(2)5-6-11(12)13/h10H,3-9H2,1-2H3,(H,12,13)
InChIKeyQQCNRTLNYHJHMF-UHFFFAOYSA-N
XLogP2.07
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.29
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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 4-(2-butoxyethoxy)pentanoic acid?
The IUPAC name of 4-(2-butoxyethoxy)pentanoic acid (CID 62213441) is 4-(2-butoxyethoxy)pentanoic acid.
What is the SMILES notation for 4-(2-butoxyethoxy)pentanoic acid?
The canonical SMILES for 4-(2-butoxyethoxy)pentanoic acid is CCCCOCCOC(C)CCC(=O)O.
What is the InChIKey of 4-(2-butoxyethoxy)pentanoic acid?
The InChIKey is QQCNRTLNYHJHMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22O4/c1-3-4-7-14-8-9-15-10(2)5-6-11(12)13/h10H,3-9H2,1-2H3,(H,12,13).
What are the key properties of 4-(2-butoxyethoxy)pentanoic acid?
4-(2-butoxyethoxy)pentanoic acid has a molecular weight of 218.29 g/mol, XLogP of 2.07, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-butoxyethoxy)pentanoic acid is sourced from PubChem (CID 62213441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).