1-tributylstannylpropan-2-one

C15H32OSn — CID 10871721

IUPAC1-tributylstannylpropan-2-one
SMILESCCCC[Sn](CCCC)(CCCC)CC(C)=O
InChIInChI=1S/3C4H9.C3H5O.Sn/c3*1-3-4-2;1-3(2)4;/h3*1,3-4H2,2H3;1H2,2H3;
InChIKeyKMWVQTAZUVBBFQ-UHFFFAOYSA-N
MW347.13 g/mol
LogP5.42
Rot. Bonds11

About 1-tributylstannylpropan-2-one

1-tributylstannylpropan-2-one (PubChem CID 10871721) has the molecular formula C15H32OSn and a molecular weight of 347.13 g/mol. Its IUPAC name is 1-tributylstannylpropan-2-one.

Molecular Properties

Compound Name1-tributylstannylpropan-2-one
PubChem CID10871721
Molecular FormulaC15H32OSn
Molecular Weight347.13 g/mol
Exact Mass348.15
IUPAC Name1-tributylstannylpropan-2-one
SMILESCCCC[Sn](CCCC)(CCCC)CC(C)=O
InChIInChI=1S/3C4H9.C3H5O.Sn/c3*1-3-4-2;1-3(2)4;/h3*1,3-4H2,2H3;1H2,2H3;
InChIKeyKMWVQTAZUVBBFQ-UHFFFAOYSA-N
XLogP5.42
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds11
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500347.13
LogP ≤ 55.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-tributylstannylpropan-2-one?
The IUPAC name of 1-tributylstannylpropan-2-one (CID 10871721) is 1-tributylstannylpropan-2-one.
What is the SMILES notation for 1-tributylstannylpropan-2-one?
The canonical SMILES for 1-tributylstannylpropan-2-one is CCCC[Sn](CCCC)(CCCC)CC(C)=O.
What is the InChIKey of 1-tributylstannylpropan-2-one?
The InChIKey is KMWVQTAZUVBBFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/3C4H9.C3H5O.Sn/c3*1-3-4-2;1-3(2)4;/h3*1,3-4H2,2H3;1H2,2H3;.
What are the key properties of 1-tributylstannylpropan-2-one?
1-tributylstannylpropan-2-one has a molecular weight of 347.13 g/mol, XLogP of 5.42, 11 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tributylstannylpropan-2-one is sourced from PubChem (CID 10871721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).