tributyl-(2,4-dichlorophenoxy)stannane

C18H30Cl2OSn — CID 16683287

IUPACtributyl-(2,4-dichlorophenoxy)stannane
SMILESCCCC[Sn](CCCC)(CCCC)Oc1ccc(Cl)cc1Cl
InChIInChI=1S/C6H4Cl2O.3C4H9.Sn/c7-4-1-2-6(9)5(8)3-4;3*1-3-4-2;/h1-3,9H;3*1,3-4H2,2H3;/q;;;;+1/p-1
InChIKeyFFQFQPHOBAMGEV-UHFFFAOYSA-M
MW452.05 g/mol
LogP7.72
Rot. Bonds11

About tributyl-(2,4-dichlorophenoxy)stannane

tributyl-(2,4-dichlorophenoxy)stannane (PubChem CID 16683287) has the molecular formula C18H30Cl2OSn and a molecular weight of 452.05 g/mol. Its IUPAC name is tributyl-(2,4-dichlorophenoxy)stannane.

Molecular Properties

Compound Nametributyl-(2,4-dichlorophenoxy)stannane
PubChem CID16683287
Molecular FormulaC18H30Cl2OSn
Molecular Weight452.05 g/mol
Exact Mass452.07
IUPAC Nametributyl-(2,4-dichlorophenoxy)stannane
SMILESCCCC[Sn](CCCC)(CCCC)Oc1ccc(Cl)cc1Cl
InChIInChI=1S/C6H4Cl2O.3C4H9.Sn/c7-4-1-2-6(9)5(8)3-4;3*1-3-4-2;/h1-3,9H;3*1,3-4H2,2H3;/q;;;;+1/p-1
InChIKeyFFQFQPHOBAMGEV-UHFFFAOYSA-M
XLogP7.72
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds11
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500452.05
LogP ≤ 57.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of tributyl-(2,4-dichlorophenoxy)stannane?
The IUPAC name of tributyl-(2,4-dichlorophenoxy)stannane (CID 16683287) is tributyl-(2,4-dichlorophenoxy)stannane.
What is the SMILES notation for tributyl-(2,4-dichlorophenoxy)stannane?
The canonical SMILES for tributyl-(2,4-dichlorophenoxy)stannane is CCCC[Sn](CCCC)(CCCC)Oc1ccc(Cl)cc1Cl.
What is the InChIKey of tributyl-(2,4-dichlorophenoxy)stannane?
The InChIKey is FFQFQPHOBAMGEV-UHFFFAOYSA-M. The full InChI is InChI=1S/C6H4Cl2O.3C4H9.Sn/c7-4-1-2-6(9)5(8)3-4;3*1-3-4-2;/h1-3,9H;3*1,3-4H2,2H3;/q;;;;+1/p-1.
What are the key properties of tributyl-(2,4-dichlorophenoxy)stannane?
tributyl-(2,4-dichlorophenoxy)stannane has a molecular weight of 452.05 g/mol, XLogP of 7.72, 11 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for tributyl-(2,4-dichlorophenoxy)stannane is sourced from PubChem (CID 16683287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).