tributyl-[4-methyl-1-[2-(oxan-2-yloxy)ethyl]pyrazol-3-yl]stannane

C23H44N2O2Sn — CID 90177729

IUPACtributyl-[4-methyl-1-[2-(oxan-2-yloxy)ethyl]pyrazol-3-yl]stannane
SMILESCCCC[Sn](CCCC)(CCCC)c1nn(CCOC2CCCCO2)cc1C
InChIInChI=1S/C11H17N2O2.3C4H9.Sn/c1-10-8-12-13(9-10)5-7-15-11-4-2-3-6-14-11;3*1-3-4-2;/h9,11H,2-7H2,1H3;3*1,3-4H2,2H3;
InChIKeyOAISFVKIIGGJEA-UHFFFAOYSA-N
MW499.33 g/mol
LogP5.79
Rot. Bonds14

About tributyl-[4-methyl-1-[2-(oxan-2-yloxy)ethyl]pyrazol-3-yl]stannane

tributyl-[4-methyl-1-[2-(oxan-2-yloxy)ethyl]pyrazol-3-yl]stannane (PubChem CID 90177729) has the molecular formula C23H44N2O2Sn and a molecular weight of 499.33 g/mol. Its IUPAC name is tributyl-[4-methyl-1-[2-(oxan-2-yloxy)ethyl]pyrazol-3-yl]stannane.

Molecular Properties

Compound Nametributyl-[4-methyl-1-[2-(oxan-2-yloxy)ethyl]pyrazol-3-yl]stannane
PubChem CID90177729
Molecular FormulaC23H44N2O2Sn
Molecular Weight499.33 g/mol
Exact Mass500.24
IUPAC Nametributyl-[4-methyl-1-[2-(oxan-2-yloxy)ethyl]pyrazol-3-yl]stannane
SMILESCCCC[Sn](CCCC)(CCCC)c1nn(CCOC2CCCCO2)cc1C
InChIInChI=1S/C11H17N2O2.3C4H9.Sn/c1-10-8-12-13(9-10)5-7-15-11-4-2-3-6-14-11;3*1-3-4-2;/h9,11H,2-7H2,1H3;3*1,3-4H2,2H3;
InChIKeyOAISFVKIIGGJEA-UHFFFAOYSA-N
XLogP5.79
TPSA36.28 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds14
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500499.33
LogP ≤ 55.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of tributyl-[4-methyl-1-[2-(oxan-2-yloxy)ethyl]pyrazol-3-yl]stannane?
The IUPAC name of tributyl-[4-methyl-1-[2-(oxan-2-yloxy)ethyl]pyrazol-3-yl]stannane (CID 90177729) is tributyl-[4-methyl-1-[2-(oxan-2-yloxy)ethyl]pyrazol-3-yl]stannane.
What is the SMILES notation for tributyl-[4-methyl-1-[2-(oxan-2-yloxy)ethyl]pyrazol-3-yl]stannane?
The canonical SMILES for tributyl-[4-methyl-1-[2-(oxan-2-yloxy)ethyl]pyrazol-3-yl]stannane is CCCC[Sn](CCCC)(CCCC)c1nn(CCOC2CCCCO2)cc1C.
What is the InChIKey of tributyl-[4-methyl-1-[2-(oxan-2-yloxy)ethyl]pyrazol-3-yl]stannane?
The InChIKey is OAISFVKIIGGJEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N2O2.3C4H9.Sn/c1-10-8-12-13(9-10)5-7-15-11-4-2-3-6-14-11;3*1-3-4-2;/h9,11H,2-7H2,1H3;3*1,3-4H2,2H3;.
What are the key properties of tributyl-[4-methyl-1-[2-(oxan-2-yloxy)ethyl]pyrazol-3-yl]stannane?
tributyl-[4-methyl-1-[2-(oxan-2-yloxy)ethyl]pyrazol-3-yl]stannane has a molecular weight of 499.33 g/mol, XLogP of 5.79, 14 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tributyl-[4-methyl-1-[2-(oxan-2-yloxy)ethyl]pyrazol-3-yl]stannane is sourced from PubChem (CID 90177729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).