tributyl-(2-phenylphenoxy)stannane

C24H36OSn — CID 16683765

IUPACtributyl-(2-phenylphenoxy)stannane
SMILESCCCC[Sn](CCCC)(CCCC)Oc1ccccc1-c1ccccc1
InChIInChI=1S/C12H10O.3C4H9.Sn/c13-12-9-5-4-8-11(12)10-6-2-1-3-7-10;3*1-3-4-2;/h1-9,13H;3*1,3-4H2,2H3;/q;;;;+1/p-1
InChIKeyCVZQPMGPWJOWCT-UHFFFAOYSA-M
MW459.26 g/mol
LogP8.08
Rot. Bonds12

About tributyl-(2-phenylphenoxy)stannane

tributyl-(2-phenylphenoxy)stannane (PubChem CID 16683765) has the molecular formula C24H36OSn and a molecular weight of 459.26 g/mol. Its IUPAC name is tributyl-(2-phenylphenoxy)stannane.

Molecular Properties

Compound Nametributyl-(2-phenylphenoxy)stannane
PubChem CID16683765
Molecular FormulaC24H36OSn
Molecular Weight459.26 g/mol
Exact Mass460.18
IUPAC Nametributyl-(2-phenylphenoxy)stannane
SMILESCCCC[Sn](CCCC)(CCCC)Oc1ccccc1-c1ccccc1
InChIInChI=1S/C12H10O.3C4H9.Sn/c13-12-9-5-4-8-11(12)10-6-2-1-3-7-10;3*1-3-4-2;/h1-9,13H;3*1,3-4H2,2H3;/q;;;;+1/p-1
InChIKeyCVZQPMGPWJOWCT-UHFFFAOYSA-M
XLogP8.08
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds12
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500459.26
LogP ≤ 58.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of tributyl-(2-phenylphenoxy)stannane?
The IUPAC name of tributyl-(2-phenylphenoxy)stannane (CID 16683765) is tributyl-(2-phenylphenoxy)stannane.
What is the SMILES notation for tributyl-(2-phenylphenoxy)stannane?
The canonical SMILES for tributyl-(2-phenylphenoxy)stannane is CCCC[Sn](CCCC)(CCCC)Oc1ccccc1-c1ccccc1.
What is the InChIKey of tributyl-(2-phenylphenoxy)stannane?
The InChIKey is CVZQPMGPWJOWCT-UHFFFAOYSA-M. The full InChI is InChI=1S/C12H10O.3C4H9.Sn/c13-12-9-5-4-8-11(12)10-6-2-1-3-7-10;3*1-3-4-2;/h1-9,13H;3*1,3-4H2,2H3;/q;;;;+1/p-1.
What are the key properties of tributyl-(2-phenylphenoxy)stannane?
tributyl-(2-phenylphenoxy)stannane has a molecular weight of 459.26 g/mol, XLogP of 8.08, 12 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for tributyl-(2-phenylphenoxy)stannane is sourced from PubChem (CID 16683765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).