tributyl(ethynyl)stannane

C14H28Sn — CID 621176

IUPACtributyl(ethynyl)stannane
SMILESC#C[Sn](CCCC)(CCCC)CCCC
InChIInChI=1S/3C4H9.C2H.Sn/c3*1-3-4-2;1-2;/h3*1,3-4H2,2H3;1H;
InChIKeyYEMJHNYABQHWHL-UHFFFAOYSA-N
MW315.09 g/mol
LogP5.01
Rot. Bonds9

About tributyl(ethynyl)stannane

tributyl(ethynyl)stannane (PubChem CID 621176) has the molecular formula C14H28Sn and a molecular weight of 315.09 g/mol. Its IUPAC name is tributyl(ethynyl)stannane.

Molecular Properties

Compound Nametributyl(ethynyl)stannane
PubChem CID621176
Molecular FormulaC14H28Sn
Molecular Weight315.09 g/mol
Exact Mass316.12
IUPAC Nametributyl(ethynyl)stannane
SMILESC#C[Sn](CCCC)(CCCC)CCCC
InChIInChI=1S/3C4H9.C2H.Sn/c3*1-3-4-2;1-2;/h3*1,3-4H2,2H3;1H;
InChIKeyYEMJHNYABQHWHL-UHFFFAOYSA-N
XLogP5.01
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds9
Heavy Atoms15
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500315.09
LogP ≤ 55.01
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(ethynyl)stannane?
The IUPAC name of tributyl(ethynyl)stannane (CID 621176) is tributyl(ethynyl)stannane.
What is the SMILES notation for tributyl(ethynyl)stannane?
The canonical SMILES for tributyl(ethynyl)stannane is C#C[Sn](CCCC)(CCCC)CCCC.
What is the InChIKey of tributyl(ethynyl)stannane?
The InChIKey is YEMJHNYABQHWHL-UHFFFAOYSA-N. The full InChI is InChI=1S/3C4H9.C2H.Sn/c3*1-3-4-2;1-2;/h3*1,3-4H2,2H3;1H;.
What are the key properties of tributyl(ethynyl)stannane?
tributyl(ethynyl)stannane has a molecular weight of 315.09 g/mol, XLogP of 5.01, 9 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for tributyl(ethynyl)stannane is sourced from PubChem (CID 621176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).