4-pentan-2-yloxythiophene-2-carboxylic acid

C10H14O3S — CID 107890074

IUPAC4-pentan-2-yloxythiophene-2-carboxylic acid
SMILESCCCC(C)Oc1csc(C(=O)O)c1
InChIInChI=1S/C10H14O3S/c1-3-4-7(2)13-8-5-9(10(11)12)14-6-8/h5-7H,3-4H2,1-2H3,(H,11,12)
InChIKeyNKDPHJUWDLIUFY-UHFFFAOYSA-N
MW214.29 g/mol
LogP3.01
Rot. Bonds5

About 4-pentan-2-yloxythiophene-2-carboxylic acid

4-pentan-2-yloxythiophene-2-carboxylic acid (PubChem CID 107890074) has the molecular formula C10H14O3S and a molecular weight of 214.29 g/mol. Its IUPAC name is 4-pentan-2-yloxythiophene-2-carboxylic acid.

Molecular Properties

Compound Name4-pentan-2-yloxythiophene-2-carboxylic acid
PubChem CID107890074
Molecular FormulaC10H14O3S
Molecular Weight214.29 g/mol
Exact Mass214.07
IUPAC Name4-pentan-2-yloxythiophene-2-carboxylic acid
SMILESCCCC(C)Oc1csc(C(=O)O)c1
InChIInChI=1S/C10H14O3S/c1-3-4-7(2)13-8-5-9(10(11)12)14-6-8/h5-7H,3-4H2,1-2H3,(H,11,12)
InChIKeyNKDPHJUWDLIUFY-UHFFFAOYSA-N
XLogP3.01
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.29
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 4-pentan-2-yloxythiophene-2-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-pentan-2-yloxythiophene-2-carboxylic acid?
The IUPAC name of 4-pentan-2-yloxythiophene-2-carboxylic acid (CID 107890074) is 4-pentan-2-yloxythiophene-2-carboxylic acid.
What is the SMILES notation for 4-pentan-2-yloxythiophene-2-carboxylic acid?
The canonical SMILES for 4-pentan-2-yloxythiophene-2-carboxylic acid is CCCC(C)Oc1csc(C(=O)O)c1.
What is the InChIKey of 4-pentan-2-yloxythiophene-2-carboxylic acid?
The InChIKey is NKDPHJUWDLIUFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14O3S/c1-3-4-7(2)13-8-5-9(10(11)12)14-6-8/h5-7H,3-4H2,1-2H3,(H,11,12).
What are the key properties of 4-pentan-2-yloxythiophene-2-carboxylic acid?
4-pentan-2-yloxythiophene-2-carboxylic acid has a molecular weight of 214.29 g/mol, XLogP of 3.01, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-pentan-2-yloxythiophene-2-carboxylic acid is sourced from PubChem (CID 107890074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).