1-benzofuran-2-yl(5-butylnonan-5-yl)tin

C21H32OSn — CID 141133394

IUPAC1-benzofuran-2-yl(5-butylnonan-5-yl)tin
SMILESCCCCC(CCCC)(CCCC)[Sn]c1cc2ccccc2o1
InChIInChI=1S/C13H27.C8H5O.Sn/c1-4-7-10-13(11-8-5-2)12-9-6-3;1-2-4-8-7(3-1)5-6-9-8;/h4-12H2,1-3H3;1-5H;
InChIKeyFBZOYTMMHRIVCK-UHFFFAOYSA-N
MW419.20 g/mol
LogP6.49
Rot. Bonds11

About 1-benzofuran-2-yl(5-butylnonan-5-yl)tin

1-benzofuran-2-yl(5-butylnonan-5-yl)tin (PubChem CID 141133394) has the molecular formula C21H32OSn and a molecular weight of 419.20 g/mol. Its IUPAC name is 1-benzofuran-2-yl(5-butylnonan-5-yl)tin.

Molecular Properties

Compound Name1-benzofuran-2-yl(5-butylnonan-5-yl)tin
PubChem CID141133394
Molecular FormulaC21H32OSn
Molecular Weight419.20 g/mol
Exact Mass420.15
IUPAC Name1-benzofuran-2-yl(5-butylnonan-5-yl)tin
SMILESCCCCC(CCCC)(CCCC)[Sn]c1cc2ccccc2o1
InChIInChI=1S/C13H27.C8H5O.Sn/c1-4-7-10-13(11-8-5-2)12-9-6-3;1-2-4-8-7(3-1)5-6-9-8;/h4-12H2,1-3H3;1-5H;
InChIKeyFBZOYTMMHRIVCK-UHFFFAOYSA-N
XLogP6.49
TPSA13.14 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds11
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500419.20
LogP ≤ 56.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-benzofuran-2-yl(5-butylnonan-5-yl)tin?
The IUPAC name of 1-benzofuran-2-yl(5-butylnonan-5-yl)tin (CID 141133394) is 1-benzofuran-2-yl(5-butylnonan-5-yl)tin.
What is the SMILES notation for 1-benzofuran-2-yl(5-butylnonan-5-yl)tin?
The canonical SMILES for 1-benzofuran-2-yl(5-butylnonan-5-yl)tin is CCCCC(CCCC)(CCCC)[Sn]c1cc2ccccc2o1.
What is the InChIKey of 1-benzofuran-2-yl(5-butylnonan-5-yl)tin?
The InChIKey is FBZOYTMMHRIVCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27.C8H5O.Sn/c1-4-7-10-13(11-8-5-2)12-9-6-3;1-2-4-8-7(3-1)5-6-9-8;/h4-12H2,1-3H3;1-5H;.
What are the key properties of 1-benzofuran-2-yl(5-butylnonan-5-yl)tin?
1-benzofuran-2-yl(5-butylnonan-5-yl)tin has a molecular weight of 419.20 g/mol, XLogP of 6.49, 11 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzofuran-2-yl(5-butylnonan-5-yl)tin is sourced from PubChem (CID 141133394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).