tributyl-(5-dodecylthiophen-2-yl)stannane

C28H54SSn — CID 68652035

IUPACtributyl-(5-dodecylthiophen-2-yl)stannane
SMILESCCCCCCCCCCCCc1ccc([Sn](CCCC)(CCCC)CCCC)s1
InChIInChI=1S/C16H27S.3C4H9.Sn/c1-2-3-4-5-6-7-8-9-10-11-13-16-14-12-15-17-16;3*1-3-4-2;/h12,14H,2-11,13H2,1H3;3*1,3-4H2,2H3;
InChIKeyAFPDUHAFUBQRCC-UHFFFAOYSA-N
MW541.52 g/mol
LogP10.27
Rot. Bonds21

About tributyl-(5-dodecylthiophen-2-yl)stannane

tributyl-(5-dodecylthiophen-2-yl)stannane (PubChem CID 68652035) has the molecular formula C28H54SSn and a molecular weight of 541.52 g/mol. Its IUPAC name is tributyl-(5-dodecylthiophen-2-yl)stannane.

Molecular Properties

Compound Nametributyl-(5-dodecylthiophen-2-yl)stannane
PubChem CID68652035
Molecular FormulaC28H54SSn
Molecular Weight541.52 g/mol
Exact Mass542.30
IUPAC Nametributyl-(5-dodecylthiophen-2-yl)stannane
SMILESCCCCCCCCCCCCc1ccc([Sn](CCCC)(CCCC)CCCC)s1
InChIInChI=1S/C16H27S.3C4H9.Sn/c1-2-3-4-5-6-7-8-9-10-11-13-16-14-12-15-17-16;3*1-3-4-2;/h12,14H,2-11,13H2,1H3;3*1,3-4H2,2H3;
InChIKeyAFPDUHAFUBQRCC-UHFFFAOYSA-N
XLogP10.27
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds21
Heavy Atoms30
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500541.52
LogP ≤ 510.27
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-(6,6-dimethylheptyl)thiophen-2-yl]stannane
CID 176853407
(5-decylthiophen-2-yl)-trimethylstannane
CID 140863319
tributyl-[5-[5-(5-butylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]stannane
CID 140799576
2,5-diheptylthiophene
CID 607114
tributyl-[5-(2-butyloctyl)thiophen-2-yl]stannane
CID 140776373
2-dodecyl-5-ethylthiophene
CID 528251
[5-(5-icosylthiophen-2-yl)thiophen-2-yl]-trimethylstannane
CID 24744286
tributyl-[5-[tris(5-tributylstannylthiophen-2-yl)methyl]thiophen-2-yl]stannane
CID 139255137
2-dodecyl-5-[5-[5-[5-[5-(5-dodecylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]thiophene
CID 24746397
tributyl-(5-pentylthiophen-3-yl)stannane
CID 172559357
2-(4-bromobutyl)-5-octylthiophene
CID 132557960
2-tert-butyl-5-decylthiophene
CID 140589356

Frequently Asked Questions

What is the IUPAC name of tributyl-(5-dodecylthiophen-2-yl)stannane?
The IUPAC name of tributyl-(5-dodecylthiophen-2-yl)stannane (CID 68652035) is tributyl-(5-dodecylthiophen-2-yl)stannane.
What is the SMILES notation for tributyl-(5-dodecylthiophen-2-yl)stannane?
The canonical SMILES for tributyl-(5-dodecylthiophen-2-yl)stannane is CCCCCCCCCCCCc1ccc([Sn](CCCC)(CCCC)CCCC)s1.
What is the InChIKey of tributyl-(5-dodecylthiophen-2-yl)stannane?
The InChIKey is AFPDUHAFUBQRCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27S.3C4H9.Sn/c1-2-3-4-5-6-7-8-9-10-11-13-16-14-12-15-17-16;3*1-3-4-2;/h12,14H,2-11,13H2,1H3;3*1,3-4H2,2H3;.
What are the key properties of tributyl-(5-dodecylthiophen-2-yl)stannane?
tributyl-(5-dodecylthiophen-2-yl)stannane has a molecular weight of 541.52 g/mol, XLogP of 10.27, 21 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for tributyl-(5-dodecylthiophen-2-yl)stannane is sourced from PubChem (CID 68652035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).