tributyl(4-tributylstannylbuta-1,3-diynyl)stannane

C28H54Sn2 — CID 11365627

IUPACtributyl(4-tributylstannylbuta-1,3-diynyl)stannane
SMILESCCCC[Sn](C#CC#C[Sn](CCCC)(CCCC)CCCC)(CCCC)CCCC
InChIInChI=1S/6C4H9.C4.2Sn/c7*1-3-4-2;;/h6*1,3-4H2,2H3;;;
InChIKeyZSKSUKCCXLTOSW-UHFFFAOYSA-N
MW628.16 g/mol
LogP9.77
Rot. Bonds18

About tributyl(4-tributylstannylbuta-1,3-diynyl)stannane

tributyl(4-tributylstannylbuta-1,3-diynyl)stannane (PubChem CID 11365627) has the molecular formula C28H54Sn2 and a molecular weight of 628.16 g/mol. Its IUPAC name is tributyl(4-tributylstannylbuta-1,3-diynyl)stannane.

Molecular Properties

Compound Nametributyl(4-tributylstannylbuta-1,3-diynyl)stannane
PubChem CID11365627
Molecular FormulaC28H54Sn2
Molecular Weight628.16 g/mol
Exact Mass630.23
IUPAC Nametributyl(4-tributylstannylbuta-1,3-diynyl)stannane
SMILESCCCC[Sn](C#CC#C[Sn](CCCC)(CCCC)CCCC)(CCCC)CCCC
InChIInChI=1S/6C4H9.C4.2Sn/c7*1-3-4-2;;/h6*1,3-4H2,2H3;;;
InChIKeyZSKSUKCCXLTOSW-UHFFFAOYSA-N
XLogP9.77
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds18
Heavy Atoms30
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500628.16
LogP ≤ 59.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of tributyl(4-tributylstannylbuta-1,3-diynyl)stannane?
The IUPAC name of tributyl(4-tributylstannylbuta-1,3-diynyl)stannane (CID 11365627) is tributyl(4-tributylstannylbuta-1,3-diynyl)stannane.
What is the SMILES notation for tributyl(4-tributylstannylbuta-1,3-diynyl)stannane?
The canonical SMILES for tributyl(4-tributylstannylbuta-1,3-diynyl)stannane is CCCC[Sn](C#CC#C[Sn](CCCC)(CCCC)CCCC)(CCCC)CCCC.
What is the InChIKey of tributyl(4-tributylstannylbuta-1,3-diynyl)stannane?
The InChIKey is ZSKSUKCCXLTOSW-UHFFFAOYSA-N. The full InChI is InChI=1S/6C4H9.C4.2Sn/c7*1-3-4-2;;/h6*1,3-4H2,2H3;;;.
What are the key properties of tributyl(4-tributylstannylbuta-1,3-diynyl)stannane?
tributyl(4-tributylstannylbuta-1,3-diynyl)stannane has a molecular weight of 628.16 g/mol, XLogP of 9.77, 18 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for tributyl(4-tributylstannylbuta-1,3-diynyl)stannane is sourced from PubChem (CID 11365627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).