tris(butan-1-olate);2-(methylamino)ethyltin(3+)

C15H35NO3Sn — CID 19359800

IUPACtris(butan-1-olate);2-(methylamino)ethyltin(3+)
SMILESCCCC[O-].CCCC[O-].CCCC[O-].CNCC[Sn+3]
InChIInChI=1S/3C4H9O.C3H8N.Sn/c3*1-2-3-4-5;1-3-4-2;/h3*2-4H2,1H3;4H,1,3H2,2H3;/q3*-1;;+3
InChIKeyHTQYUXWODZHBEH-UHFFFAOYSA-N
MW396.16 g/mol
LogP0.23
Rot. Bonds8

About tris(butan-1-olate);2-(methylamino)ethyltin(3+)

tris(butan-1-olate);2-(methylamino)ethyltin(3+) (PubChem CID 19359800) has the molecular formula C15H35NO3Sn and a molecular weight of 396.16 g/mol. Its IUPAC name is tris(butan-1-olate);2-(methylamino)ethyltin(3+).

Molecular Properties

Compound Nametris(butan-1-olate);2-(methylamino)ethyltin(3+)
PubChem CID19359800
Molecular FormulaC15H35NO3Sn
Molecular Weight396.16 g/mol
Exact Mass397.16
IUPAC Nametris(butan-1-olate);2-(methylamino)ethyltin(3+)
SMILESCCCC[O-].CCCC[O-].CCCC[O-].CNCC[Sn+3]
InChIInChI=1S/3C4H9O.C3H8N.Sn/c3*1-2-3-4-5;1-3-4-2;/h3*2-4H2,1H3;4H,1,3H2,2H3;/q3*-1;;+3
InChIKeyHTQYUXWODZHBEH-UHFFFAOYSA-N
XLogP0.23
TPSA81.21 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.16
LogP ≤ 50.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of tris(butan-1-olate);2-(methylamino)ethyltin(3+)?
The IUPAC name of tris(butan-1-olate);2-(methylamino)ethyltin(3+) (CID 19359800) is tris(butan-1-olate);2-(methylamino)ethyltin(3+).
What is the SMILES notation for tris(butan-1-olate);2-(methylamino)ethyltin(3+)?
The canonical SMILES for tris(butan-1-olate);2-(methylamino)ethyltin(3+) is CCCC[O-].CCCC[O-].CCCC[O-].CNCC[Sn+3].
What is the InChIKey of tris(butan-1-olate);2-(methylamino)ethyltin(3+)?
The InChIKey is HTQYUXWODZHBEH-UHFFFAOYSA-N. The full InChI is InChI=1S/3C4H9O.C3H8N.Sn/c3*1-2-3-4-5;1-3-4-2;/h3*2-4H2,1H3;4H,1,3H2,2H3;/q3*-1;;+3.
What are the key properties of tris(butan-1-olate);2-(methylamino)ethyltin(3+)?
tris(butan-1-olate);2-(methylamino)ethyltin(3+) has a molecular weight of 396.16 g/mol, XLogP of 0.23, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tris(butan-1-olate);2-(methylamino)ethyltin(3+) is sourced from PubChem (CID 19359800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).