chloro-[11-[5-[5-[5-(5-ethylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]undecyl]-dimethylsilane

C31H41ClS4Si — CID 102049401

About chloro-[11-[5-[5-[5-(5-ethylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]undecyl]-dimethylsilane

chloro-[11-[5-[5-[5-(5-ethylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]undecyl]-dimethylsilane (PubChem CID 102049401) has the molecular formula C31H41ClS4Si and a molecular weight of 605.48 g/mol. Its IUPAC name is chloro-[11-[5-[5-[5-(5-ethylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]undecyl]-dimethylsilane.

Molecular Properties

• Compound Name: chloro-[11-[5-[5-[5-(5-ethylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]undecyl]-dimethylsilane
• PubChem CID: 102049401
• Molecular Formula: C31H41ClS4Si
• Molecular Weight: 605.48 g/mol
• Exact Mass: 604.15
• IUPAC Name: chloro-[11-[5-[5-[5-(5-ethylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]undecyl]-dimethylsilane
• SMILES: CCc1ccc(-c2ccc(-c3ccc(-c4ccc(CCCCCCCCCCC[Si](C)(C)Cl)s4)s3)s2)s1
• InChI: InChI=1S/C31H41ClS4Si/c1-4-24-15-17-26(33-24)28-19-21-30(35-28)31-22-20-29(36-31)27-18-16-25(34-27)14-12-10-8-6-5-7-9-11-13-23-37(2,3)32/h15-22H,4-14,23H2,1-3H3
• InChIKey: LWSGVUFACMCRNC-UHFFFAOYSA-N
• XLogP: 12.99
• TPSA: 0.00 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 16
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	605.48
LogP ≤ 5	12.99
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of chloro-[11-[5-[5-[5-(5-ethylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]undecyl]-dimethylsilane?

The IUPAC name of chloro-[11-[5-[5-[5-(5-ethylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]undecyl]-dimethylsilane (CID 102049401) is chloro-[11-[5-[5-[5-(5-ethylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]undecyl]-dimethylsilane.

What is the SMILES notation for chloro-[11-[5-[5-[5-(5-ethylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]undecyl]-dimethylsilane?

The canonical SMILES for chloro-[11-[5-[5-[5-(5-ethylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]undecyl]-dimethylsilane is CCc1ccc(-c2ccc(-c3ccc(-c4ccc(CCCCCCCCCCC[Si](C)(C)Cl)s4)s3)s2)s1.

What is the InChIKey of chloro-[11-[5-[5-[5-(5-ethylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]undecyl]-dimethylsilane?

The InChIKey is LWSGVUFACMCRNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H41ClS4Si/c1-4-24-15-17-26(33-24)28-19-21-30(35-28)31-22-20-29(36-31)27-18-16-25(34-27)14-12-10-8-6-5-7-9-11-13-23-37(2,3)32/h15-22H,4-14,23H2,1-3H3.

What are the key properties of chloro-[11-[5-[5-[5-(5-ethylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]undecyl]-dimethylsilane?

chloro-[11-[5-[5-[5-(5-ethylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]undecyl]-dimethylsilane has a molecular weight of 605.48 g/mol, XLogP of 12.99, 16 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for chloro-[11-[5-[5-[5-(5-ethylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]undecyl]-dimethylsilane is sourced from PubChem (CID 102049401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).