[dimethyl-[5-(5-tributylstannylthiophen-2-yl)thiophen-2-yl]silyl]oxy-dimethyl-[5-(5-tributylstannylthiophen-2-yl)thiophen-2-yl]silane

C44H74OS4Si2Sn2 — CID 156600245

IUPAC[dimethyl-[5-(5-tributylstannylthiophen-2-yl)thiophen-2-yl]silyl]oxy-dimethyl-[5-(5-tributylstannylthiophen-2-yl)thiophen-2-yl]silane
SMILESCCCC[Sn](CCCC)(CCCC)c1ccc(-c2ccc([Si](C)(C)O[Si](C)(C)c3ccc(-c4ccc([Sn](CCCC)(CCCC)CCCC)s4)s3)s2)s1
InChIInChI=1S/C20H20OS4Si2.6C4H9.2Sn/c1-26(2,19-11-9-17(24-19)15-7-5-13-22-15)21-27(3,4)20-12-10-18(25-20)16-8-6-14-23-16;6*1-3-4-2;;/h5-12H,1-4H3;6*1,3-4H2,2H3;;
InChIKeyPEQAEFHTMSQEIE-UHFFFAOYSA-N
MW1040.94 g/mol
LogP14.92
Rot. Bonds26

About [dimethyl-[5-(5-tributylstannylthiophen-2-yl)thiophen-2-yl]silyl]oxy-dimethyl-[5-(5-tributylstannylthiophen-2-yl)thiophen-2-yl]silane

[dimethyl-[5-(5-tributylstannylthiophen-2-yl)thiophen-2-yl]silyl]oxy-dimethyl-[5-(5-tributylstannylthiophen-2-yl)thiophen-2-yl]silane (PubChem CID 156600245) has the molecular formula C44H74OS4Si2Sn2 and a molecular weight of 1040.94 g/mol. Its IUPAC name is [dimethyl-[5-(5-tributylstannylthiophen-2-yl)thiophen-2-yl]silyl]oxy-dimethyl-[5-(5-tributylstannylthiophen-2-yl)thiophen-2-yl]silane.

Molecular Properties

Compound Name[dimethyl-[5-(5-tributylstannylthiophen-2-yl)thiophen-2-yl]silyl]oxy-dimethyl-[5-(5-tributylstannylthiophen-2-yl)thiophen-2-yl]silane
PubChem CID156600245
Molecular FormulaC44H74OS4Si2Sn2
Molecular Weight1040.94 g/mol
Exact Mass1042.22
IUPAC Name[dimethyl-[5-(5-tributylstannylthiophen-2-yl)thiophen-2-yl]silyl]oxy-dimethyl-[5-(5-tributylstannylthiophen-2-yl)thiophen-2-yl]silane
SMILESCCCC[Sn](CCCC)(CCCC)c1ccc(-c2ccc([Si](C)(C)O[Si](C)(C)c3ccc(-c4ccc([Sn](CCCC)(CCCC)CCCC)s4)s3)s2)s1
InChIInChI=1S/C20H20OS4Si2.6C4H9.2Sn/c1-26(2,19-11-9-17(24-19)15-7-5-13-22-15)21-27(3,4)20-12-10-18(25-20)16-8-6-14-23-16;6*1-3-4-2;;/h5-12H,1-4H3;6*1,3-4H2,2H3;;
InChIKeyPEQAEFHTMSQEIE-UHFFFAOYSA-N
XLogP14.92
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds26
Heavy Atoms53
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001040.94
LogP ≤ 514.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

tributyl-[5-[5-(5-butylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]stannane
CID 140799576
[5-[3-butyl-5-[4-butyl-5-[5-[4-butyl-5-(5-tributylstannylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]-trimethylsilane
CID 10701238
diethyl 5-chloro-2-(5-trimethylsilylthiophen-2-yl)thieno[3,2-b]thiophene-3,6-dicarboxylate;diethyl 2,5-dichlorothieno[3,2-b]thiophene-3,6-dicarboxylate;trimethyl-(5-tributylstannylthiophen-2-yl)silane
CID 161143072
tributyl-[5-[tris(5-tributylstannylthiophen-2-yl)methyl]thiophen-2-yl]stannane
CID 139255137
tributyl-(5-dodecylthiophen-2-yl)stannane
CID 68652035
tributyl-[5-(2,6-diphenoxyphenyl)thiophen-2-yl]stannane
CID 162486745
tributyl-[5-(9H-fluoren-1-yl)thiophen-2-yl]stannane
CID 175243428
tributyl-(5-morpholin-4-ylthiophen-2-yl)stannane
CID 152759929
[5-(5-icosylthiophen-2-yl)thiophen-2-yl]-trimethylstannane
CID 24744286
[5-[5-[5-[dimethyl(octyl)silyl]thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]-dimethyl-octylsilane
CID 101486953
[5-[5-[5-[5-[5-[5-[dimethyl(octyl)silyl]thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]-dimethyl-octylsilane
CID 101486956
tributyl-[5-(6,6-dimethylheptyl)thiophen-2-yl]stannane
CID 176853407

Frequently Asked Questions

What is the IUPAC name of [dimethyl-[5-(5-tributylstannylthiophen-2-yl)thiophen-2-yl]silyl]oxy-dimethyl-[5-(5-tributylstannylthiophen-2-yl)thiophen-2-yl]silane?
The IUPAC name of [dimethyl-[5-(5-tributylstannylthiophen-2-yl)thiophen-2-yl]silyl]oxy-dimethyl-[5-(5-tributylstannylthiophen-2-yl)thiophen-2-yl]silane (CID 156600245) is [dimethyl-[5-(5-tributylstannylthiophen-2-yl)thiophen-2-yl]silyl]oxy-dimethyl-[5-(5-tributylstannylthiophen-2-yl)thiophen-2-yl]silane.
What is the SMILES notation for [dimethyl-[5-(5-tributylstannylthiophen-2-yl)thiophen-2-yl]silyl]oxy-dimethyl-[5-(5-tributylstannylthiophen-2-yl)thiophen-2-yl]silane?
The canonical SMILES for [dimethyl-[5-(5-tributylstannylthiophen-2-yl)thiophen-2-yl]silyl]oxy-dimethyl-[5-(5-tributylstannylthiophen-2-yl)thiophen-2-yl]silane is CCCC[Sn](CCCC)(CCCC)c1ccc(-c2ccc([Si](C)(C)O[Si](C)(C)c3ccc(-c4ccc([Sn](CCCC)(CCCC)CCCC)s4)s3)s2)s1.
What is the InChIKey of [dimethyl-[5-(5-tributylstannylthiophen-2-yl)thiophen-2-yl]silyl]oxy-dimethyl-[5-(5-tributylstannylthiophen-2-yl)thiophen-2-yl]silane?
The InChIKey is PEQAEFHTMSQEIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20OS4Si2.6C4H9.2Sn/c1-26(2,19-11-9-17(24-19)15-7-5-13-22-15)21-27(3,4)20-12-10-18(25-20)16-8-6-14-23-16;6*1-3-4-2;;/h5-12H,1-4H3;6*1,3-4H2,2H3;;.
What are the key properties of [dimethyl-[5-(5-tributylstannylthiophen-2-yl)thiophen-2-yl]silyl]oxy-dimethyl-[5-(5-tributylstannylthiophen-2-yl)thiophen-2-yl]silane?
[dimethyl-[5-(5-tributylstannylthiophen-2-yl)thiophen-2-yl]silyl]oxy-dimethyl-[5-(5-tributylstannylthiophen-2-yl)thiophen-2-yl]silane has a molecular weight of 1040.94 g/mol, XLogP of 14.92, 26 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [dimethyl-[5-(5-tributylstannylthiophen-2-yl)thiophen-2-yl]silyl]oxy-dimethyl-[5-(5-tributylstannylthiophen-2-yl)thiophen-2-yl]silane is sourced from PubChem (CID 156600245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).