5-butylnonan-5-yl-(6-ethoxypyrazin-2-yl)tin

C19H34N2OSn — CID 141269173

IUPAC5-butylnonan-5-yl-(6-ethoxypyrazin-2-yl)tin
SMILESCCCCC(CCCC)(CCCC)[Sn]c1cncc(OCC)n1
InChIInChI=1S/C13H27.C6H7N2O.Sn/c1-4-7-10-13(11-8-5-2)12-9-6-3;1-2-9-6-5-7-3-4-8-6;/h4-12H2,1-3H3;3,5H,2H2,1H3;
InChIKeyACPMZQIDHXYZQN-UHFFFAOYSA-N
MW425.21 g/mol
LogP4.93
Rot. Bonds13

About 5-butylnonan-5-yl-(6-ethoxypyrazin-2-yl)tin

5-butylnonan-5-yl-(6-ethoxypyrazin-2-yl)tin (PubChem CID 141269173) has the molecular formula C19H34N2OSn and a molecular weight of 425.21 g/mol. Its IUPAC name is 5-butylnonan-5-yl-(6-ethoxypyrazin-2-yl)tin.

Molecular Properties

Compound Name5-butylnonan-5-yl-(6-ethoxypyrazin-2-yl)tin
PubChem CID141269173
Molecular FormulaC19H34N2OSn
Molecular Weight425.21 g/mol
Exact Mass426.17
IUPAC Name5-butylnonan-5-yl-(6-ethoxypyrazin-2-yl)tin
SMILESCCCCC(CCCC)(CCCC)[Sn]c1cncc(OCC)n1
InChIInChI=1S/C13H27.C6H7N2O.Sn/c1-4-7-10-13(11-8-5-2)12-9-6-3;1-2-9-6-5-7-3-4-8-6;/h4-12H2,1-3H3;3,5H,2H2,1H3;
InChIKeyACPMZQIDHXYZQN-UHFFFAOYSA-N
XLogP4.93
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds13
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.21
LogP ≤ 54.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-butylnonan-5-yl-(6-ethoxypyrazin-2-yl)tin?
The IUPAC name of 5-butylnonan-5-yl-(6-ethoxypyrazin-2-yl)tin (CID 141269173) is 5-butylnonan-5-yl-(6-ethoxypyrazin-2-yl)tin.
What is the SMILES notation for 5-butylnonan-5-yl-(6-ethoxypyrazin-2-yl)tin?
The canonical SMILES for 5-butylnonan-5-yl-(6-ethoxypyrazin-2-yl)tin is CCCCC(CCCC)(CCCC)[Sn]c1cncc(OCC)n1.
What is the InChIKey of 5-butylnonan-5-yl-(6-ethoxypyrazin-2-yl)tin?
The InChIKey is ACPMZQIDHXYZQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27.C6H7N2O.Sn/c1-4-7-10-13(11-8-5-2)12-9-6-3;1-2-9-6-5-7-3-4-8-6;/h4-12H2,1-3H3;3,5H,2H2,1H3;.
What are the key properties of 5-butylnonan-5-yl-(6-ethoxypyrazin-2-yl)tin?
5-butylnonan-5-yl-(6-ethoxypyrazin-2-yl)tin has a molecular weight of 425.21 g/mol, XLogP of 4.93, 13 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-butylnonan-5-yl-(6-ethoxypyrazin-2-yl)tin is sourced from PubChem (CID 141269173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).