diethyl tributylstannyl phosphate

C16H37O4PSn — CID 16686248

IUPACdiethyl tributylstannyl phosphate
SMILESCCCC[Sn](CCCC)(CCCC)OP(=O)(OCC)OCC
InChIInChI=1S/C4H11O4P.3C4H9.Sn/c1-3-7-9(5,6)8-4-2;3*1-3-4-2;/h3-4H2,1-2H3,(H,5,6);3*1,3-4H2,2H3;/q;;;;+1/p-1
InChIKeyBCEVUNVLYHUNIK-UHFFFAOYSA-M
MW443.15 g/mol
LogP6.53
Rot. Bonds15

About diethyl tributylstannyl phosphate

diethyl tributylstannyl phosphate (PubChem CID 16686248) has the molecular formula C16H37O4PSn and a molecular weight of 443.15 g/mol. Its IUPAC name is diethyl tributylstannyl phosphate.

Molecular Properties

Compound Namediethyl tributylstannyl phosphate
PubChem CID16686248
Molecular FormulaC16H37O4PSn
Molecular Weight443.15 g/mol
Exact Mass444.15
IUPAC Namediethyl tributylstannyl phosphate
SMILESCCCC[Sn](CCCC)(CCCC)OP(=O)(OCC)OCC
InChIInChI=1S/C4H11O4P.3C4H9.Sn/c1-3-7-9(5,6)8-4-2;3*1-3-4-2;/h3-4H2,1-2H3,(H,5,6);3*1,3-4H2,2H3;/q;;;;+1/p-1
InChIKeyBCEVUNVLYHUNIK-UHFFFAOYSA-M
XLogP6.53
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds15
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500443.15
LogP ≤ 56.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of diethyl tributylstannyl phosphate?
The IUPAC name of diethyl tributylstannyl phosphate (CID 16686248) is diethyl tributylstannyl phosphate.
What is the SMILES notation for diethyl tributylstannyl phosphate?
The canonical SMILES for diethyl tributylstannyl phosphate is CCCC[Sn](CCCC)(CCCC)OP(=O)(OCC)OCC.
What is the InChIKey of diethyl tributylstannyl phosphate?
The InChIKey is BCEVUNVLYHUNIK-UHFFFAOYSA-M. The full InChI is InChI=1S/C4H11O4P.3C4H9.Sn/c1-3-7-9(5,6)8-4-2;3*1-3-4-2;/h3-4H2,1-2H3,(H,5,6);3*1,3-4H2,2H3;/q;;;;+1/p-1.
What are the key properties of diethyl tributylstannyl phosphate?
diethyl tributylstannyl phosphate has a molecular weight of 443.15 g/mol, XLogP of 6.53, 15 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for diethyl tributylstannyl phosphate is sourced from PubChem (CID 16686248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).