5-[5-(5-formylfuran-2-yl)-4-hexylthiophen-2-yl]furan-2-carbaldehyde

C20H20O4S — CID 132550017

IUPAC5-[5-(5-formylfuran-2-yl)-4-hexylthiophen-2-yl]furan-2-carbaldehyde
SMILESCCCCCCc1cc(-c2ccc(C=O)o2)sc1-c1ccc(C=O)o1
InChIInChI=1S/C20H20O4S/c1-2-3-4-5-6-14-11-19(17-9-7-15(12-21)23-17)25-20(14)18-10-8-16(13-22)24-18/h7-13H,2-6H2,1H3
InChIKeyNDFNZBLDESOCLI-UHFFFAOYSA-N
MW356.44 g/mol
LogP6.02
Rot. Bonds9

About 5-[5-(5-formylfuran-2-yl)-4-hexylthiophen-2-yl]furan-2-carbaldehyde

5-[5-(5-formylfuran-2-yl)-4-hexylthiophen-2-yl]furan-2-carbaldehyde (PubChem CID 132550017) has the molecular formula C20H20O4S and a molecular weight of 356.44 g/mol. Its IUPAC name is 5-[5-(5-formylfuran-2-yl)-4-hexylthiophen-2-yl]furan-2-carbaldehyde.

Molecular Properties

Compound Name5-[5-(5-formylfuran-2-yl)-4-hexylthiophen-2-yl]furan-2-carbaldehyde
PubChem CID132550017
Molecular FormulaC20H20O4S
Molecular Weight356.44 g/mol
Exact Mass356.11
IUPAC Name5-[5-(5-formylfuran-2-yl)-4-hexylthiophen-2-yl]furan-2-carbaldehyde
SMILESCCCCCCc1cc(-c2ccc(C=O)o2)sc1-c1ccc(C=O)o1
InChIInChI=1S/C20H20O4S/c1-2-3-4-5-6-14-11-19(17-9-7-15(12-21)23-17)25-20(14)18-10-8-16(13-22)24-18/h7-13H,2-6H2,1H3
InChIKeyNDFNZBLDESOCLI-UHFFFAOYSA-N
XLogP6.02
TPSA60.42 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500356.44
LogP ≤ 56.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 5-[5-(5-formylfuran-2-yl)-4-hexylthiophen-2-yl]furan-2-carbaldehyde with MolForge

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

Launch Full Analysis

Related Compounds

4,5-di(tricosyl)furan-2-carbaldehyde
CID 177254410
3-octyl-2,5-bis(3-octylthiophen-2-yl)thiophene
CID 101041638
4-[4-butyl-5-(4-formylphenyl)thiophen-2-yl]benzaldehyde
CID 141406317
3-decyl-5-(4-decyl-5-thiophen-2-ylthiophen-2-yl)-2-thiophen-2-ylthiophene
CID 15363325
3-octadecyl-5-[3-octadecyl-5-[5-[4-octadecyl-5-[4-octadecyl-5-[5-[5-[3-octadecyl-5-(3-octadecylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]-2-[5-[5-[3-octadecyl-5-(3-octadecylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]thiophene
CID 100961610
3-hexyl-2-[5-[5-[3-hexyl-5-[4-hexyl-5-[5-[5-(3-hexyl-5-methylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]-5-methylthiophene
CID 101128225
5-[5-[5-formyl-3-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxymethyl]thiophen-2-yl]-4-pentadecylthiophen-2-yl]-4-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxymethyl]thiophene-2-carbaldehyde
CID 102198712
4-pentyl-5-[5-[5-[5-(3-pentylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]thiophene-2-carbaldehyde
CID 100938452
5-[5-[5-[5-[5-(5-carboxythiophen-2-yl)thiophen-2-yl]-4-decylthiophen-2-yl]-3-decylthiophen-2-yl]thiophen-2-yl]thiophene-2-carboxylic acid
CID 100913776
5-(4-pentoxyphenyl)furan-2-carbaldehyde
CID 169333298
2-bromo-5-[5-[5-[5-[5-(5-bromo-4-hexylthiophen-2-yl)-3-hexylthiophen-2-yl]thiophen-2-yl]thiophen-2-yl]-4-hexylthiophen-2-yl]-3-hexylthiophene
CID 102588392
5-[3,5-bis[4-hexyl-5-[5-[5-(3-hexylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]phenyl]-2-[5-[5-[5-[3,5-bis[4-hexyl-5-[5-[5-(3-hexylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]phenyl]-3-hexylthiophen-2-yl]thiophen-2-yl]thiophen-2-yl]-3-hexylthiophene
CID 58159360

Frequently Asked Questions

What is the IUPAC name of 5-[5-(5-formylfuran-2-yl)-4-hexylthiophen-2-yl]furan-2-carbaldehyde?
The IUPAC name of 5-[5-(5-formylfuran-2-yl)-4-hexylthiophen-2-yl]furan-2-carbaldehyde (CID 132550017) is 5-[5-(5-formylfuran-2-yl)-4-hexylthiophen-2-yl]furan-2-carbaldehyde.
What is the SMILES notation for 5-[5-(5-formylfuran-2-yl)-4-hexylthiophen-2-yl]furan-2-carbaldehyde?
The canonical SMILES for 5-[5-(5-formylfuran-2-yl)-4-hexylthiophen-2-yl]furan-2-carbaldehyde is CCCCCCc1cc(-c2ccc(C=O)o2)sc1-c1ccc(C=O)o1.
What is the InChIKey of 5-[5-(5-formylfuran-2-yl)-4-hexylthiophen-2-yl]furan-2-carbaldehyde?
The InChIKey is NDFNZBLDESOCLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20O4S/c1-2-3-4-5-6-14-11-19(17-9-7-15(12-21)23-17)25-20(14)18-10-8-16(13-22)24-18/h7-13H,2-6H2,1H3.
What are the key properties of 5-[5-(5-formylfuran-2-yl)-4-hexylthiophen-2-yl]furan-2-carbaldehyde?
5-[5-(5-formylfuran-2-yl)-4-hexylthiophen-2-yl]furan-2-carbaldehyde has a molecular weight of 356.44 g/mol, XLogP of 6.02, 9 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[5-(5-formylfuran-2-yl)-4-hexylthiophen-2-yl]furan-2-carbaldehyde is sourced from PubChem (CID 132550017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).