1-tributylstannyl-3-trimethylsilylpropan-2-one

C18H40OSiSn — CID 71361186

IUPAC1-tributylstannyl-3-trimethylsilylpropan-2-one
SMILESCCCC[Sn](CCCC)(CCCC)CC(=O)C[Si](C)(C)C
InChIInChI=1S/C6H13OSi.3C4H9.Sn/c1-6(7)5-8(2,3)4;3*1-3-4-2;/h1,5H2,2-4H3;3*1,3-4H2,2H3;
InChIKeyMOMDBKKPUVMWIZ-UHFFFAOYSA-N
MW419.31 g/mol
LogP6.74
Rot. Bonds13

About 1-tributylstannyl-3-trimethylsilylpropan-2-one

1-tributylstannyl-3-trimethylsilylpropan-2-one (PubChem CID 71361186) has the molecular formula C18H40OSiSn and a molecular weight of 419.31 g/mol. Its IUPAC name is 1-tributylstannyl-3-trimethylsilylpropan-2-one.

Molecular Properties

Compound Name1-tributylstannyl-3-trimethylsilylpropan-2-one
PubChem CID71361186
Molecular FormulaC18H40OSiSn
Molecular Weight419.31 g/mol
Exact Mass420.19
IUPAC Name1-tributylstannyl-3-trimethylsilylpropan-2-one
SMILESCCCC[Sn](CCCC)(CCCC)CC(=O)C[Si](C)(C)C
InChIInChI=1S/C6H13OSi.3C4H9.Sn/c1-6(7)5-8(2,3)4;3*1-3-4-2;/h1,5H2,2-4H3;3*1,3-4H2,2H3;
InChIKeyMOMDBKKPUVMWIZ-UHFFFAOYSA-N
XLogP6.74
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds13
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500419.31
LogP ≤ 56.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-tributylstannyl-3-trimethylsilylpropan-2-one?
The IUPAC name of 1-tributylstannyl-3-trimethylsilylpropan-2-one (CID 71361186) is 1-tributylstannyl-3-trimethylsilylpropan-2-one.
What is the SMILES notation for 1-tributylstannyl-3-trimethylsilylpropan-2-one?
The canonical SMILES for 1-tributylstannyl-3-trimethylsilylpropan-2-one is CCCC[Sn](CCCC)(CCCC)CC(=O)C[Si](C)(C)C.
What is the InChIKey of 1-tributylstannyl-3-trimethylsilylpropan-2-one?
The InChIKey is MOMDBKKPUVMWIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13OSi.3C4H9.Sn/c1-6(7)5-8(2,3)4;3*1-3-4-2;/h1,5H2,2-4H3;3*1,3-4H2,2H3;.
What are the key properties of 1-tributylstannyl-3-trimethylsilylpropan-2-one?
1-tributylstannyl-3-trimethylsilylpropan-2-one has a molecular weight of 419.31 g/mol, XLogP of 6.74, 13 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tributylstannyl-3-trimethylsilylpropan-2-one is sourced from PubChem (CID 71361186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).