tributyl-(3-methyl-1,2-oxazol-5-yl)stannane

C16H31NOSn — CID 2763255

IUPACtributyl-(3-methyl-1,2-oxazol-5-yl)stannane
SMILESCCCC[Sn](CCCC)(CCCC)c1cc(C)no1
InChIInChI=1S/C4H4NO.3C4H9.Sn/c1-4-2-3-6-5-4;3*1-3-4-2;/h2H,1H3;3*1,3-4H2,2H3;
InChIKeyYYGNJPDQYSBWPH-UHFFFAOYSA-N
MW372.14 g/mol
LogP5.04
Rot. Bonds10

About tributyl-(3-methyl-1,2-oxazol-5-yl)stannane

tributyl-(3-methyl-1,2-oxazol-5-yl)stannane (PubChem CID 2763255) has the molecular formula C16H31NOSn and a molecular weight of 372.14 g/mol. Its IUPAC name is tributyl-(3-methyl-1,2-oxazol-5-yl)stannane.

Molecular Properties

Compound Nametributyl-(3-methyl-1,2-oxazol-5-yl)stannane
PubChem CID2763255
Molecular FormulaC16H31NOSn
Molecular Weight372.14 g/mol
Exact Mass373.14
IUPAC Nametributyl-(3-methyl-1,2-oxazol-5-yl)stannane
SMILESCCCC[Sn](CCCC)(CCCC)c1cc(C)no1
InChIInChI=1S/C4H4NO.3C4H9.Sn/c1-4-2-3-6-5-4;3*1-3-4-2;/h2H,1H3;3*1,3-4H2,2H3;
InChIKeyYYGNJPDQYSBWPH-UHFFFAOYSA-N
XLogP5.04
TPSA26.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500372.14
LogP ≤ 55.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of tributyl-(3-methyl-1,2-oxazol-5-yl)stannane?
The IUPAC name of tributyl-(3-methyl-1,2-oxazol-5-yl)stannane (CID 2763255) is tributyl-(3-methyl-1,2-oxazol-5-yl)stannane.
What is the SMILES notation for tributyl-(3-methyl-1,2-oxazol-5-yl)stannane?
The canonical SMILES for tributyl-(3-methyl-1,2-oxazol-5-yl)stannane is CCCC[Sn](CCCC)(CCCC)c1cc(C)no1.
What is the InChIKey of tributyl-(3-methyl-1,2-oxazol-5-yl)stannane?
The InChIKey is YYGNJPDQYSBWPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H4NO.3C4H9.Sn/c1-4-2-3-6-5-4;3*1-3-4-2;/h2H,1H3;3*1,3-4H2,2H3;.
What are the key properties of tributyl-(3-methyl-1,2-oxazol-5-yl)stannane?
tributyl-(3-methyl-1,2-oxazol-5-yl)stannane has a molecular weight of 372.14 g/mol, XLogP of 5.04, 10 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tributyl-(3-methyl-1,2-oxazol-5-yl)stannane is sourced from PubChem (CID 2763255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).