5-butylnonan-5-yl-(3,6-dimethoxypyridazin-4-yl)tin

C19H34N2O2Sn — CID 141228722

IUPAC5-butylnonan-5-yl-(3,6-dimethoxypyridazin-4-yl)tin
SMILESCCCCC(CCCC)(CCCC)[Sn]c1cc(OC)nnc1OC
InChIInChI=1S/C13H27.C6H7N2O2.Sn/c1-4-7-10-13(11-8-5-2)12-9-6-3;1-9-5-3-4-6(10-2)8-7-5;/h4-12H2,1-3H3;3H,1-2H3;
InChIKeyIMSACPQIUFTYAZ-UHFFFAOYSA-N
MW441.20 g/mol
LogP4.55
Rot. Bonds13

About 5-butylnonan-5-yl-(3,6-dimethoxypyridazin-4-yl)tin

5-butylnonan-5-yl-(3,6-dimethoxypyridazin-4-yl)tin (PubChem CID 141228722) has the molecular formula C19H34N2O2Sn and a molecular weight of 441.20 g/mol. Its IUPAC name is 5-butylnonan-5-yl-(3,6-dimethoxypyridazin-4-yl)tin.

Molecular Properties

Compound Name5-butylnonan-5-yl-(3,6-dimethoxypyridazin-4-yl)tin
PubChem CID141228722
Molecular FormulaC19H34N2O2Sn
Molecular Weight441.20 g/mol
Exact Mass442.16
IUPAC Name5-butylnonan-5-yl-(3,6-dimethoxypyridazin-4-yl)tin
SMILESCCCCC(CCCC)(CCCC)[Sn]c1cc(OC)nnc1OC
InChIInChI=1S/C13H27.C6H7N2O2.Sn/c1-4-7-10-13(11-8-5-2)12-9-6-3;1-9-5-3-4-6(10-2)8-7-5;/h4-12H2,1-3H3;3H,1-2H3;
InChIKeyIMSACPQIUFTYAZ-UHFFFAOYSA-N
XLogP4.55
TPSA44.24 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds13
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.20
LogP ≤ 54.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-butylnonan-5-yl-(3,6-dimethoxypyridazin-4-yl)tin?
The IUPAC name of 5-butylnonan-5-yl-(3,6-dimethoxypyridazin-4-yl)tin (CID 141228722) is 5-butylnonan-5-yl-(3,6-dimethoxypyridazin-4-yl)tin.
What is the SMILES notation for 5-butylnonan-5-yl-(3,6-dimethoxypyridazin-4-yl)tin?
The canonical SMILES for 5-butylnonan-5-yl-(3,6-dimethoxypyridazin-4-yl)tin is CCCCC(CCCC)(CCCC)[Sn]c1cc(OC)nnc1OC.
What is the InChIKey of 5-butylnonan-5-yl-(3,6-dimethoxypyridazin-4-yl)tin?
The InChIKey is IMSACPQIUFTYAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27.C6H7N2O2.Sn/c1-4-7-10-13(11-8-5-2)12-9-6-3;1-9-5-3-4-6(10-2)8-7-5;/h4-12H2,1-3H3;3H,1-2H3;.
What are the key properties of 5-butylnonan-5-yl-(3,6-dimethoxypyridazin-4-yl)tin?
5-butylnonan-5-yl-(3,6-dimethoxypyridazin-4-yl)tin has a molecular weight of 441.20 g/mol, XLogP of 4.55, 13 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-butylnonan-5-yl-(3,6-dimethoxypyridazin-4-yl)tin is sourced from PubChem (CID 141228722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).