1-trimethylstannylpropan-2-one

C6H14OSn — CID 13005248

IUPAC1-trimethylstannylpropan-2-one
SMILESCC(=O)C[Sn](C)(C)C
InChIInChI=1S/C3H5O.3CH3.Sn/c1-3(2)4;;;;/h1H2,2H3;3*1H3;
InChIKeyXXCUFANPSABDLO-UHFFFAOYSA-N
MW220.89 g/mol
LogP1.91
Rot. Bonds2

About 1-trimethylstannylpropan-2-one

1-trimethylstannylpropan-2-one (PubChem CID 13005248) has the molecular formula C6H14OSn and a molecular weight of 220.89 g/mol. Its IUPAC name is 1-trimethylstannylpropan-2-one.

Molecular Properties

Compound Name1-trimethylstannylpropan-2-one
PubChem CID13005248
Molecular FormulaC6H14OSn
Molecular Weight220.89 g/mol
Exact Mass222.01
IUPAC Name1-trimethylstannylpropan-2-one
SMILESCC(=O)C[Sn](C)(C)C
InChIInChI=1S/C3H5O.3CH3.Sn/c1-3(2)4;;;;/h1H2,2H3;3*1H3;
InChIKeyXXCUFANPSABDLO-UHFFFAOYSA-N
XLogP1.91
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.89
LogP ≤ 51.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-trimethylstannylpropan-2-one?
The IUPAC name of 1-trimethylstannylpropan-2-one (CID 13005248) is 1-trimethylstannylpropan-2-one.
What is the SMILES notation for 1-trimethylstannylpropan-2-one?
The canonical SMILES for 1-trimethylstannylpropan-2-one is CC(=O)C[Sn](C)(C)C.
What is the InChIKey of 1-trimethylstannylpropan-2-one?
The InChIKey is XXCUFANPSABDLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H5O.3CH3.Sn/c1-3(2)4;;;;/h1H2,2H3;3*1H3;.
What are the key properties of 1-trimethylstannylpropan-2-one?
1-trimethylstannylpropan-2-one has a molecular weight of 220.89 g/mol, XLogP of 1.91, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-trimethylstannylpropan-2-one is sourced from PubChem (CID 13005248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).