tributyl-[5-(2-butyloctyl)thiophen-2-yl]stannane

C28H54SSn — CID 140776373

IUPACtributyl-[5-(2-butyloctyl)thiophen-2-yl]stannane
SMILESCCCCCCC(CCCC)Cc1ccc([Sn](CCCC)(CCCC)CCCC)s1
InChIInChI=1S/C16H27S.3C4H9.Sn/c1-3-5-7-8-11-15(10-6-4-2)14-16-12-9-13-17-16;3*1-3-4-2;/h9,12,15H,3-8,10-11,14H2,1-2H3;3*1,3-4H2,2H3;
InChIKeyCGZRKHVNGKEJQS-UHFFFAOYSA-N
MW541.52 g/mol
LogP10.12
Rot. Bonds20

About tributyl-[5-(2-butyloctyl)thiophen-2-yl]stannane

tributyl-[5-(2-butyloctyl)thiophen-2-yl]stannane (PubChem CID 140776373) has the molecular formula C28H54SSn and a molecular weight of 541.52 g/mol. Its IUPAC name is tributyl-[5-(2-butyloctyl)thiophen-2-yl]stannane.

Molecular Properties

Compound Nametributyl-[5-(2-butyloctyl)thiophen-2-yl]stannane
PubChem CID140776373
Molecular FormulaC28H54SSn
Molecular Weight541.52 g/mol
Exact Mass542.30
IUPAC Nametributyl-[5-(2-butyloctyl)thiophen-2-yl]stannane
SMILESCCCCCCC(CCCC)Cc1ccc([Sn](CCCC)(CCCC)CCCC)s1
InChIInChI=1S/C16H27S.3C4H9.Sn/c1-3-5-7-8-11-15(10-6-4-2)14-16-12-9-13-17-16;3*1-3-4-2;/h9,12,15H,3-8,10-11,14H2,1-2H3;3*1,3-4H2,2H3;
InChIKeyCGZRKHVNGKEJQS-UHFFFAOYSA-N
XLogP10.12
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds20
Heavy Atoms30
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500541.52
LogP ≤ 510.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

tributyl-(5-dodecylthiophen-2-yl)stannane
CID 68652035
2-icosyl-5-[5-(2-octyldodecyl)thiophen-2-yl]thiophene
CID 24746555
2-bromo-5-[5-[5-[5-(2-octyldodecyl)thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]thiophene
CID 24746553
tributyl-[5-(6,6-dimethylheptyl)thiophen-2-yl]stannane
CID 176853407
2-(2-butyloctyl)thiophene
CID 66609412
4,8-bis[5-(2-butyloctyl)thiophen-2-yl]thieno[2,3-f][1]benzothiole
CID 127255921
tributyl-[5-[5-(5-butylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]stannane
CID 140799576
tributyl-[5-[5,6-difluoro-7-(5-methylthiophen-2-yl)-2-(2-octyldodecyl)benzotriazol-4-yl]thiophen-2-yl]stannane
CID 167682494
2-octyldodecyl 5-tributylstannyl-2-trimethylsilylthiophene-3-carboxylate
CID 145425487
1-(5-ethylthiophen-2-yl)tridecan-2-amine
CID 115842421
2-(2-hexyldecyl)-5-(2-thiophen-2-ylthiophen-3-yl)thiophene
CID 132553170
1-(5-chlorothiophen-2-yl)-N-propylundecan-2-amine
CID 115841634

Frequently Asked Questions

What is the IUPAC name of tributyl-[5-(2-butyloctyl)thiophen-2-yl]stannane?
The IUPAC name of tributyl-[5-(2-butyloctyl)thiophen-2-yl]stannane (CID 140776373) is tributyl-[5-(2-butyloctyl)thiophen-2-yl]stannane.
What is the SMILES notation for tributyl-[5-(2-butyloctyl)thiophen-2-yl]stannane?
The canonical SMILES for tributyl-[5-(2-butyloctyl)thiophen-2-yl]stannane is CCCCCCC(CCCC)Cc1ccc([Sn](CCCC)(CCCC)CCCC)s1.
What is the InChIKey of tributyl-[5-(2-butyloctyl)thiophen-2-yl]stannane?
The InChIKey is CGZRKHVNGKEJQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27S.3C4H9.Sn/c1-3-5-7-8-11-15(10-6-4-2)14-16-12-9-13-17-16;3*1-3-4-2;/h9,12,15H,3-8,10-11,14H2,1-2H3;3*1,3-4H2,2H3;.
What are the key properties of tributyl-[5-(2-butyloctyl)thiophen-2-yl]stannane?
tributyl-[5-(2-butyloctyl)thiophen-2-yl]stannane has a molecular weight of 541.52 g/mol, XLogP of 10.12, 20 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for tributyl-[5-(2-butyloctyl)thiophen-2-yl]stannane is sourced from PubChem (CID 140776373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).