5-butylnonan-5-yl-(6-propan-2-yl-2-pyridinyl)tin

C21H37NSn — CID 169099321

IUPAC5-butylnonan-5-yl-(6-propan-2-yl-2-pyridinyl)tin
SMILESCCCCC(CCCC)(CCCC)[Sn]c1cccc(C(C)C)n1
InChIInChI=1S/C13H27.C8H10N.Sn/c1-4-7-10-13(11-8-5-2)12-9-6-3;1-7(2)8-5-3-4-6-9-8;/h4-12H2,1-3H3;3-5,7H,1-2H3;
InChIKeyGILLNHPRQCJREW-UHFFFAOYSA-N
MW422.25 g/mol
LogP6.26
Rot. Bonds12

About 5-butylnonan-5-yl-(6-propan-2-yl-2-pyridinyl)tin

5-butylnonan-5-yl-(6-propan-2-yl-2-pyridinyl)tin (PubChem CID 169099321) has the molecular formula C21H37NSn and a molecular weight of 422.25 g/mol. Its IUPAC name is 5-butylnonan-5-yl-(6-propan-2-yl-2-pyridinyl)tin.

Molecular Properties

Compound Name5-butylnonan-5-yl-(6-propan-2-yl-2-pyridinyl)tin
PubChem CID169099321
Molecular FormulaC21H37NSn
Molecular Weight422.25 g/mol
Exact Mass423.19
IUPAC Name5-butylnonan-5-yl-(6-propan-2-yl-2-pyridinyl)tin
SMILESCCCCC(CCCC)(CCCC)[Sn]c1cccc(C(C)C)n1
InChIInChI=1S/C13H27.C8H10N.Sn/c1-4-7-10-13(11-8-5-2)12-9-6-3;1-7(2)8-5-3-4-6-9-8;/h4-12H2,1-3H3;3-5,7H,1-2H3;
InChIKeyGILLNHPRQCJREW-UHFFFAOYSA-N
XLogP6.26
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds12
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500422.25
LogP ≤ 56.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 5-butylnonan-5-yl-(6-propan-2-yl-2-pyridinyl)tin?
The IUPAC name of 5-butylnonan-5-yl-(6-propan-2-yl-2-pyridinyl)tin (CID 169099321) is 5-butylnonan-5-yl-(6-propan-2-yl-2-pyridinyl)tin.
What is the SMILES notation for 5-butylnonan-5-yl-(6-propan-2-yl-2-pyridinyl)tin?
The canonical SMILES for 5-butylnonan-5-yl-(6-propan-2-yl-2-pyridinyl)tin is CCCCC(CCCC)(CCCC)[Sn]c1cccc(C(C)C)n1.
What is the InChIKey of 5-butylnonan-5-yl-(6-propan-2-yl-2-pyridinyl)tin?
The InChIKey is GILLNHPRQCJREW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27.C8H10N.Sn/c1-4-7-10-13(11-8-5-2)12-9-6-3;1-7(2)8-5-3-4-6-9-8;/h4-12H2,1-3H3;3-5,7H,1-2H3;.
What are the key properties of 5-butylnonan-5-yl-(6-propan-2-yl-2-pyridinyl)tin?
5-butylnonan-5-yl-(6-propan-2-yl-2-pyridinyl)tin has a molecular weight of 422.25 g/mol, XLogP of 6.26, 12 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-butylnonan-5-yl-(6-propan-2-yl-2-pyridinyl)tin is sourced from PubChem (CID 169099321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).