1-[butyl(dichloro)stannyl]-4-methylpentan-3-one

C10H20Cl2OSn — CID 15724292

IUPAC1-[butyl(dichloro)stannyl]-4-methylpentan-3-one
SMILESCCCC[Sn](Cl)(Cl)CCC(=O)C(C)C
InChIInChI=1S/C6H11O.C4H9.2ClH.Sn/c1-4-6(7)5(2)3;1-3-4-2;;;/h5H,1,4H2,2-3H3;1,3-4H2,2H3;2*1H;/q;;;;+2/p-2
InChIKeyLKUGCTKERYLLAU-UHFFFAOYSA-L
MW345.89 g/mol
LogP4.32
Rot. Bonds7

About 1-[butyl(dichloro)stannyl]-4-methylpentan-3-one

1-[butyl(dichloro)stannyl]-4-methylpentan-3-one (PubChem CID 15724292) has the molecular formula C10H20Cl2OSn and a molecular weight of 345.89 g/mol. Its IUPAC name is 1-[butyl(dichloro)stannyl]-4-methylpentan-3-one.

Molecular Properties

Compound Name1-[butyl(dichloro)stannyl]-4-methylpentan-3-one
PubChem CID15724292
Molecular FormulaC10H20Cl2OSn
Molecular Weight345.89 g/mol
Exact Mass345.99
IUPAC Name1-[butyl(dichloro)stannyl]-4-methylpentan-3-one
SMILESCCCC[Sn](Cl)(Cl)CCC(=O)C(C)C
InChIInChI=1S/C6H11O.C4H9.2ClH.Sn/c1-4-6(7)5(2)3;1-3-4-2;;;/h5H,1,4H2,2-3H3;1,3-4H2,2H3;2*1H;/q;;;;+2/p-2
InChIKeyLKUGCTKERYLLAU-UHFFFAOYSA-L
XLogP4.32
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.89
LogP ≤ 54.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-[butyl(dichloro)stannyl]-4-methylpentan-3-one?
The IUPAC name of 1-[butyl(dichloro)stannyl]-4-methylpentan-3-one (CID 15724292) is 1-[butyl(dichloro)stannyl]-4-methylpentan-3-one.
What is the SMILES notation for 1-[butyl(dichloro)stannyl]-4-methylpentan-3-one?
The canonical SMILES for 1-[butyl(dichloro)stannyl]-4-methylpentan-3-one is CCCC[Sn](Cl)(Cl)CCC(=O)C(C)C.
What is the InChIKey of 1-[butyl(dichloro)stannyl]-4-methylpentan-3-one?
The InChIKey is LKUGCTKERYLLAU-UHFFFAOYSA-L. The full InChI is InChI=1S/C6H11O.C4H9.2ClH.Sn/c1-4-6(7)5(2)3;1-3-4-2;;;/h5H,1,4H2,2-3H3;1,3-4H2,2H3;2*1H;/q;;;;+2/p-2.
What are the key properties of 1-[butyl(dichloro)stannyl]-4-methylpentan-3-one?
1-[butyl(dichloro)stannyl]-4-methylpentan-3-one has a molecular weight of 345.89 g/mol, XLogP of 4.32, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[butyl(dichloro)stannyl]-4-methylpentan-3-one is sourced from PubChem (CID 15724292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).