bis(triphenylstannyl) butanedioate

C40H34O4Sn2 — CID 16683315

IUPACbis(triphenylstannyl) butanedioate
SMILESO=C(CCC(=O)O[Sn](c1ccccc1)(c1ccccc1)c1ccccc1)O[Sn](c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/6C6H5.C4H6O4.2Sn/c6*1-2-4-6-5-3-1;5-3(6)1-2-4(7)8;;/h6*1-5H;1-2H2,(H,5,6)(H,7,8);;/q;;;;;;;2*+1/p-2
InChIKeyNABGXBRAMYVSGI-UHFFFAOYSA-L
MW816.13 g/mol
LogP4.19
Rot. Bonds11

About bis(triphenylstannyl) butanedioate

bis(triphenylstannyl) butanedioate (PubChem CID 16683315) has the molecular formula C40H34O4Sn2 and a molecular weight of 816.13 g/mol. Its IUPAC name is bis(triphenylstannyl) butanedioate.

Molecular Properties

Compound Namebis(triphenylstannyl) butanedioate
PubChem CID16683315
Molecular FormulaC40H34O4Sn2
Molecular Weight816.13 g/mol
Exact Mass818.05
IUPAC Namebis(triphenylstannyl) butanedioate
SMILESO=C(CCC(=O)O[Sn](c1ccccc1)(c1ccccc1)c1ccccc1)O[Sn](c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/6C6H5.C4H6O4.2Sn/c6*1-2-4-6-5-3-1;5-3(6)1-2-4(7)8;;/h6*1-5H;1-2H2,(H,5,6)(H,7,8);;/q;;;;;;;2*+1/p-2
InChIKeyNABGXBRAMYVSGI-UHFFFAOYSA-L
XLogP4.19
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms46
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500816.13
LogP ≤ 54.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of bis(triphenylstannyl) butanedioate?
The IUPAC name of bis(triphenylstannyl) butanedioate (CID 16683315) is bis(triphenylstannyl) butanedioate.
What is the SMILES notation for bis(triphenylstannyl) butanedioate?
The canonical SMILES for bis(triphenylstannyl) butanedioate is O=C(CCC(=O)O[Sn](c1ccccc1)(c1ccccc1)c1ccccc1)O[Sn](c1ccccc1)(c1ccccc1)c1ccccc1.
What is the InChIKey of bis(triphenylstannyl) butanedioate?
The InChIKey is NABGXBRAMYVSGI-UHFFFAOYSA-L. The full InChI is InChI=1S/6C6H5.C4H6O4.2Sn/c6*1-2-4-6-5-3-1;5-3(6)1-2-4(7)8;;/h6*1-5H;1-2H2,(H,5,6)(H,7,8);;/q;;;;;;;2*+1/p-2.
What are the key properties of bis(triphenylstannyl) butanedioate?
bis(triphenylstannyl) butanedioate has a molecular weight of 816.13 g/mol, XLogP of 4.19, 11 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for bis(triphenylstannyl) butanedioate is sourced from PubChem (CID 16683315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).