bis(triphenylstannyl) but-2-ynedioate

C40H30O4Sn2 — CID 16683418

IUPACbis(triphenylstannyl) but-2-ynedioate
SMILESO=C(C#CC(=O)O[Sn](c1ccccc1)(c1ccccc1)c1ccccc1)O[Sn](c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/6C6H5.C4H2O4.2Sn/c6*1-2-4-6-5-3-1;5-3(6)1-2-4(7)8;;/h6*1-5H;(H,5,6)(H,7,8);;/q;;;;;;;2*+1/p-2
InChIKeySLGYKHPLCAJEHH-UHFFFAOYSA-L
MW812.10 g/mol
LogP3.41
Rot. Bonds8

About bis(triphenylstannyl) but-2-ynedioate

bis(triphenylstannyl) but-2-ynedioate (PubChem CID 16683418) has the molecular formula C40H30O4Sn2 and a molecular weight of 812.10 g/mol. Its IUPAC name is bis(triphenylstannyl) but-2-ynedioate.

Molecular Properties

Compound Namebis(triphenylstannyl) but-2-ynedioate
PubChem CID16683418
Molecular FormulaC40H30O4Sn2
Molecular Weight812.10 g/mol
Exact Mass814.02
IUPAC Namebis(triphenylstannyl) but-2-ynedioate
SMILESO=C(C#CC(=O)O[Sn](c1ccccc1)(c1ccccc1)c1ccccc1)O[Sn](c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/6C6H5.C4H2O4.2Sn/c6*1-2-4-6-5-3-1;5-3(6)1-2-4(7)8;;/h6*1-5H;(H,5,6)(H,7,8);;/q;;;;;;;2*+1/p-2
InChIKeySLGYKHPLCAJEHH-UHFFFAOYSA-L
XLogP3.41
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms46
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500812.10
LogP ≤ 53.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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 bis(triphenylstannyl) but-2-ynedioate?
The IUPAC name of bis(triphenylstannyl) but-2-ynedioate (CID 16683418) is bis(triphenylstannyl) but-2-ynedioate.
What is the SMILES notation for bis(triphenylstannyl) but-2-ynedioate?
The canonical SMILES for bis(triphenylstannyl) but-2-ynedioate is O=C(C#CC(=O)O[Sn](c1ccccc1)(c1ccccc1)c1ccccc1)O[Sn](c1ccccc1)(c1ccccc1)c1ccccc1.
What is the InChIKey of bis(triphenylstannyl) but-2-ynedioate?
The InChIKey is SLGYKHPLCAJEHH-UHFFFAOYSA-L. The full InChI is InChI=1S/6C6H5.C4H2O4.2Sn/c6*1-2-4-6-5-3-1;5-3(6)1-2-4(7)8;;/h6*1-5H;(H,5,6)(H,7,8);;/q;;;;;;;2*+1/p-2.
What are the key properties of bis(triphenylstannyl) but-2-ynedioate?
bis(triphenylstannyl) but-2-ynedioate has a molecular weight of 812.10 g/mol, XLogP of 3.41, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for bis(triphenylstannyl) but-2-ynedioate is sourced from PubChem (CID 16683418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).