4-butoxy-2-(4-butoxythiophen-2-yl)thiophene

C16H22O2S2 — CID 10935825

IUPAC4-butoxy-2-(4-butoxythiophen-2-yl)thiophene
SMILESCCCCOc1csc(-c2cc(OCCCC)cs2)c1
InChIInChI=1S/C16H22O2S2/c1-3-5-7-17-13-9-15(19-11-13)16-10-14(12-20-16)18-8-6-4-2/h9-12H,3-8H2,1-2H3
InChIKeyUYXQTYUHOUUYBQ-UHFFFAOYSA-N
MW310.48 g/mol
LogP5.83
Rot. Bonds9

About 4-butoxy-2-(4-butoxythiophen-2-yl)thiophene

4-butoxy-2-(4-butoxythiophen-2-yl)thiophene (PubChem CID 10935825) has the molecular formula C16H22O2S2 and a molecular weight of 310.48 g/mol. Its IUPAC name is 4-butoxy-2-(4-butoxythiophen-2-yl)thiophene.

Molecular Properties

Compound Name4-butoxy-2-(4-butoxythiophen-2-yl)thiophene
PubChem CID10935825
Molecular FormulaC16H22O2S2
Molecular Weight310.48 g/mol
Exact Mass310.11
IUPAC Name4-butoxy-2-(4-butoxythiophen-2-yl)thiophene
SMILESCCCCOc1csc(-c2cc(OCCCC)cs2)c1
InChIInChI=1S/C16H22O2S2/c1-3-5-7-17-13-9-15(19-11-13)16-10-14(12-20-16)18-8-6-4-2/h9-12H,3-8H2,1-2H3
InChIKeyUYXQTYUHOUUYBQ-UHFFFAOYSA-N
XLogP5.83
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500310.48
LogP ≤ 55.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 4-butoxy-2-(4-butoxythiophen-2-yl)thiophene 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-butoxy-2-(4-butoxythiophen-2-yl)thiophene?
The IUPAC name of 4-butoxy-2-(4-butoxythiophen-2-yl)thiophene (CID 10935825) is 4-butoxy-2-(4-butoxythiophen-2-yl)thiophene.
What is the SMILES notation for 4-butoxy-2-(4-butoxythiophen-2-yl)thiophene?
The canonical SMILES for 4-butoxy-2-(4-butoxythiophen-2-yl)thiophene is CCCCOc1csc(-c2cc(OCCCC)cs2)c1.
What is the InChIKey of 4-butoxy-2-(4-butoxythiophen-2-yl)thiophene?
The InChIKey is UYXQTYUHOUUYBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22O2S2/c1-3-5-7-17-13-9-15(19-11-13)16-10-14(12-20-16)18-8-6-4-2/h9-12H,3-8H2,1-2H3.
What are the key properties of 4-butoxy-2-(4-butoxythiophen-2-yl)thiophene?
4-butoxy-2-(4-butoxythiophen-2-yl)thiophene has a molecular weight of 310.48 g/mol, XLogP of 5.83, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-butoxy-2-(4-butoxythiophen-2-yl)thiophene is sourced from PubChem (CID 10935825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).