tributyl(phenoxy)stannane

C18H32OSn — CID 16683942

IUPACtributyl(phenoxy)stannane
SMILESCCCC[Sn](CCCC)(CCCC)Oc1ccccc1
InChIInChI=1S/C6H6O.3C4H9.Sn/c7-6-4-2-1-3-5-6;3*1-3-4-2;/h1-5,7H;3*1,3-4H2,2H3;/q;;;;+1/p-1
InChIKeyWSFFSRSHQHHVHH-UHFFFAOYSA-M
MW383.16 g/mol
LogP6.41
Rot. Bonds11

About tributyl(phenoxy)stannane

tributyl(phenoxy)stannane (PubChem CID 16683942) has the molecular formula C18H32OSn and a molecular weight of 383.16 g/mol. Its IUPAC name is tributyl(phenoxy)stannane.

Molecular Properties

Compound Nametributyl(phenoxy)stannane
PubChem CID16683942
Molecular FormulaC18H32OSn
Molecular Weight383.16 g/mol
Exact Mass384.15
IUPAC Nametributyl(phenoxy)stannane
SMILESCCCC[Sn](CCCC)(CCCC)Oc1ccccc1
InChIInChI=1S/C6H6O.3C4H9.Sn/c7-6-4-2-1-3-5-6;3*1-3-4-2;/h1-5,7H;3*1,3-4H2,2H3;/q;;;;+1/p-1
InChIKeyWSFFSRSHQHHVHH-UHFFFAOYSA-M
XLogP6.41
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds11
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500383.16
LogP ≤ 56.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of tributyl(phenoxy)stannane?
The IUPAC name of tributyl(phenoxy)stannane (CID 16683942) is tributyl(phenoxy)stannane.
What is the SMILES notation for tributyl(phenoxy)stannane?
The canonical SMILES for tributyl(phenoxy)stannane is CCCC[Sn](CCCC)(CCCC)Oc1ccccc1.
What is the InChIKey of tributyl(phenoxy)stannane?
The InChIKey is WSFFSRSHQHHVHH-UHFFFAOYSA-M. The full InChI is InChI=1S/C6H6O.3C4H9.Sn/c7-6-4-2-1-3-5-6;3*1-3-4-2;/h1-5,7H;3*1,3-4H2,2H3;/q;;;;+1/p-1.
What are the key properties of tributyl(phenoxy)stannane?
tributyl(phenoxy)stannane has a molecular weight of 383.16 g/mol, XLogP of 6.41, 11 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for tributyl(phenoxy)stannane is sourced from PubChem (CID 16683942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).