3,4-didecoxythiophene-2,5-dicarboxylic acid

C26H44O6S — CID 10576849

IUPAC3,4-didecoxythiophene-2,5-dicarboxylic acid
SMILESCCCCCCCCCCOc1c(C(=O)O)sc(C(=O)O)c1OCCCCCCCCCC
InChIInChI=1S/C26H44O6S/c1-3-5-7-9-11-13-15-17-19-31-21-22(24(26(29)30)33-23(21)25(27)28)32-20-18-16-14-12-10-8-6-4-2/h3-20H2,1-2H3,(H,27,28)(H,29,30)
InChIKeyCURUZRHWPGWIRL-UHFFFAOYSA-N
MW484.70 g/mol
LogP8.18
Rot. Bonds22

About 3,4-didecoxythiophene-2,5-dicarboxylic acid

3,4-didecoxythiophene-2,5-dicarboxylic acid (PubChem CID 10576849) has the molecular formula C26H44O6S and a molecular weight of 484.70 g/mol. Its IUPAC name is 3,4-didecoxythiophene-2,5-dicarboxylic acid.

Molecular Properties

Compound Name3,4-didecoxythiophene-2,5-dicarboxylic acid
PubChem CID10576849
Molecular FormulaC26H44O6S
Molecular Weight484.70 g/mol
Exact Mass484.29
IUPAC Name3,4-didecoxythiophene-2,5-dicarboxylic acid
SMILESCCCCCCCCCCOc1c(C(=O)O)sc(C(=O)O)c1OCCCCCCCCCC
InChIInChI=1S/C26H44O6S/c1-3-5-7-9-11-13-15-17-19-31-21-22(24(26(29)30)33-23(21)25(27)28)32-20-18-16-14-12-10-8-6-4-2/h3-20H2,1-2H3,(H,27,28)(H,29,30)
InChIKeyCURUZRHWPGWIRL-UHFFFAOYSA-N
XLogP8.18
TPSA93.06 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds22
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500484.70
LogP ≤ 58.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 3,4-didecoxythiophene-2,5-dicarboxylic 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 3,4-didecoxythiophene-2,5-dicarboxylic acid?
The IUPAC name of 3,4-didecoxythiophene-2,5-dicarboxylic acid (CID 10576849) is 3,4-didecoxythiophene-2,5-dicarboxylic acid.
What is the SMILES notation for 3,4-didecoxythiophene-2,5-dicarboxylic acid?
The canonical SMILES for 3,4-didecoxythiophene-2,5-dicarboxylic acid is CCCCCCCCCCOc1c(C(=O)O)sc(C(=O)O)c1OCCCCCCCCCC.
What is the InChIKey of 3,4-didecoxythiophene-2,5-dicarboxylic acid?
The InChIKey is CURUZRHWPGWIRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H44O6S/c1-3-5-7-9-11-13-15-17-19-31-21-22(24(26(29)30)33-23(21)25(27)28)32-20-18-16-14-12-10-8-6-4-2/h3-20H2,1-2H3,(H,27,28)(H,29,30).
What are the key properties of 3,4-didecoxythiophene-2,5-dicarboxylic acid?
3,4-didecoxythiophene-2,5-dicarboxylic acid has a molecular weight of 484.70 g/mol, XLogP of 8.18, 22 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-didecoxythiophene-2,5-dicarboxylic acid is sourced from PubChem (CID 10576849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).