tributyl-(6-phenylmethoxypyrazin-2-yl)stannane

C23H36N2OSn — CID 135028210

IUPACtributyl-(6-phenylmethoxypyrazin-2-yl)stannane
SMILESCCCC[Sn](CCCC)(CCCC)c1cncc(OCc2ccccc2)n1
InChIInChI=1S/C11H9N2O.3C4H9.Sn/c1-2-4-10(5-3-1)9-14-11-8-12-6-7-13-11;3*1-3-4-2;/h1-6,8H,9H2;3*1,3-4H2,2H3;
InChIKeyKGRWTVNYYOGVIO-UHFFFAOYSA-N
MW475.27 g/mol
LogP6.11
Rot. Bonds13

About tributyl-(6-phenylmethoxypyrazin-2-yl)stannane

tributyl-(6-phenylmethoxypyrazin-2-yl)stannane (PubChem CID 135028210) has the molecular formula C23H36N2OSn and a molecular weight of 475.27 g/mol. Its IUPAC name is tributyl-(6-phenylmethoxypyrazin-2-yl)stannane.

Molecular Properties

Compound Nametributyl-(6-phenylmethoxypyrazin-2-yl)stannane
PubChem CID135028210
Molecular FormulaC23H36N2OSn
Molecular Weight475.27 g/mol
Exact Mass476.18
IUPAC Nametributyl-(6-phenylmethoxypyrazin-2-yl)stannane
SMILESCCCC[Sn](CCCC)(CCCC)c1cncc(OCc2ccccc2)n1
InChIInChI=1S/C11H9N2O.3C4H9.Sn/c1-2-4-10(5-3-1)9-14-11-8-12-6-7-13-11;3*1-3-4-2;/h1-6,8H,9H2;3*1,3-4H2,2H3;
InChIKeyKGRWTVNYYOGVIO-UHFFFAOYSA-N
XLogP6.11
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds13
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500475.27
LogP ≤ 56.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of tributyl-(6-phenylmethoxypyrazin-2-yl)stannane?
The IUPAC name of tributyl-(6-phenylmethoxypyrazin-2-yl)stannane (CID 135028210) is tributyl-(6-phenylmethoxypyrazin-2-yl)stannane.
What is the SMILES notation for tributyl-(6-phenylmethoxypyrazin-2-yl)stannane?
The canonical SMILES for tributyl-(6-phenylmethoxypyrazin-2-yl)stannane is CCCC[Sn](CCCC)(CCCC)c1cncc(OCc2ccccc2)n1.
What is the InChIKey of tributyl-(6-phenylmethoxypyrazin-2-yl)stannane?
The InChIKey is KGRWTVNYYOGVIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9N2O.3C4H9.Sn/c1-2-4-10(5-3-1)9-14-11-8-12-6-7-13-11;3*1-3-4-2;/h1-6,8H,9H2;3*1,3-4H2,2H3;.
What are the key properties of tributyl-(6-phenylmethoxypyrazin-2-yl)stannane?
tributyl-(6-phenylmethoxypyrazin-2-yl)stannane has a molecular weight of 475.27 g/mol, XLogP of 6.11, 13 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tributyl-(6-phenylmethoxypyrazin-2-yl)stannane is sourced from PubChem (CID 135028210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).