tributyl-[(1-methylimidazol-4-yl)methyl]stannane

C17H34N2Sn — CID 169086685

IUPACtributyl-[(1-methylimidazol-4-yl)methyl]stannane
SMILESCCCC[Sn](CCCC)(CCCC)Cc1cn(C)cn1
InChIInChI=1S/C5H7N2.3C4H9.Sn/c1-5-3-7(2)4-6-5;3*1-3-4-2;/h3-4H,1H2,2H3;3*1,3-4H2,2H3;
InChIKeyXXZZEQCCFQOOPU-UHFFFAOYSA-N
MW385.18 g/mol
LogP5.35
Rot. Bonds11

About tributyl-[(1-methylimidazol-4-yl)methyl]stannane

tributyl-[(1-methylimidazol-4-yl)methyl]stannane (PubChem CID 169086685) has the molecular formula C17H34N2Sn and a molecular weight of 385.18 g/mol. Its IUPAC name is tributyl-[(1-methylimidazol-4-yl)methyl]stannane.

Molecular Properties

Compound Nametributyl-[(1-methylimidazol-4-yl)methyl]stannane
PubChem CID169086685
Molecular FormulaC17H34N2Sn
Molecular Weight385.18 g/mol
Exact Mass386.17
IUPAC Nametributyl-[(1-methylimidazol-4-yl)methyl]stannane
SMILESCCCC[Sn](CCCC)(CCCC)Cc1cn(C)cn1
InChIInChI=1S/C5H7N2.3C4H9.Sn/c1-5-3-7(2)4-6-5;3*1-3-4-2;/h3-4H,1H2,2H3;3*1,3-4H2,2H3;
InChIKeyXXZZEQCCFQOOPU-UHFFFAOYSA-N
XLogP5.35
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500385.18
LogP ≤ 55.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of tributyl-[(1-methylimidazol-4-yl)methyl]stannane?
The IUPAC name of tributyl-[(1-methylimidazol-4-yl)methyl]stannane (CID 169086685) is tributyl-[(1-methylimidazol-4-yl)methyl]stannane.
What is the SMILES notation for tributyl-[(1-methylimidazol-4-yl)methyl]stannane?
The canonical SMILES for tributyl-[(1-methylimidazol-4-yl)methyl]stannane is CCCC[Sn](CCCC)(CCCC)Cc1cn(C)cn1.
What is the InChIKey of tributyl-[(1-methylimidazol-4-yl)methyl]stannane?
The InChIKey is XXZZEQCCFQOOPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H7N2.3C4H9.Sn/c1-5-3-7(2)4-6-5;3*1-3-4-2;/h3-4H,1H2,2H3;3*1,3-4H2,2H3;.
What are the key properties of tributyl-[(1-methylimidazol-4-yl)methyl]stannane?
tributyl-[(1-methylimidazol-4-yl)methyl]stannane has a molecular weight of 385.18 g/mol, XLogP of 5.35, 11 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tributyl-[(1-methylimidazol-4-yl)methyl]stannane is sourced from PubChem (CID 169086685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).