tributyl-(2-phenylmethoxypyrazol-3-yl)stannane

C22H36N2OSn — CID 10479501

IUPACtributyl-(2-phenylmethoxypyrazol-3-yl)stannane
SMILESCCCC[Sn](CCCC)(CCCC)c1ccnn1OCc1ccccc1
InChIInChI=1S/C10H9N2O.3C4H9.Sn/c1-2-5-10(6-3-1)9-13-12-8-4-7-11-12;3*1-3-4-2;/h1-7H,9H2;3*1,3-4H2,2H3;
InChIKeyQSSAQUGDPUIJEK-UHFFFAOYSA-N
MW463.25 g/mol
LogP5.57
Rot. Bonds13

About tributyl-(2-phenylmethoxypyrazol-3-yl)stannane

tributyl-(2-phenylmethoxypyrazol-3-yl)stannane (PubChem CID 10479501) has the molecular formula C22H36N2OSn and a molecular weight of 463.25 g/mol. Its IUPAC name is tributyl-(2-phenylmethoxypyrazol-3-yl)stannane.

Molecular Properties

Compound Nametributyl-(2-phenylmethoxypyrazol-3-yl)stannane
PubChem CID10479501
Molecular FormulaC22H36N2OSn
Molecular Weight463.25 g/mol
Exact Mass464.18
IUPAC Nametributyl-(2-phenylmethoxypyrazol-3-yl)stannane
SMILESCCCC[Sn](CCCC)(CCCC)c1ccnn1OCc1ccccc1
InChIInChI=1S/C10H9N2O.3C4H9.Sn/c1-2-5-10(6-3-1)9-13-12-8-4-7-11-12;3*1-3-4-2;/h1-7H,9H2;3*1,3-4H2,2H3;
InChIKeyQSSAQUGDPUIJEK-UHFFFAOYSA-N
XLogP5.57
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds13
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500463.25
LogP ≤ 55.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of tributyl-(2-phenylmethoxypyrazol-3-yl)stannane?
The IUPAC name of tributyl-(2-phenylmethoxypyrazol-3-yl)stannane (CID 10479501) is tributyl-(2-phenylmethoxypyrazol-3-yl)stannane.
What is the SMILES notation for tributyl-(2-phenylmethoxypyrazol-3-yl)stannane?
The canonical SMILES for tributyl-(2-phenylmethoxypyrazol-3-yl)stannane is CCCC[Sn](CCCC)(CCCC)c1ccnn1OCc1ccccc1.
What is the InChIKey of tributyl-(2-phenylmethoxypyrazol-3-yl)stannane?
The InChIKey is QSSAQUGDPUIJEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9N2O.3C4H9.Sn/c1-2-5-10(6-3-1)9-13-12-8-4-7-11-12;3*1-3-4-2;/h1-7H,9H2;3*1,3-4H2,2H3;.
What are the key properties of tributyl-(2-phenylmethoxypyrazol-3-yl)stannane?
tributyl-(2-phenylmethoxypyrazol-3-yl)stannane has a molecular weight of 463.25 g/mol, XLogP of 5.57, 13 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tributyl-(2-phenylmethoxypyrazol-3-yl)stannane is sourced from PubChem (CID 10479501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).