bromo-dibutyl-[dibutyl(ethoxy)stannyl]oxystannane;bromo-dibutyl-[dibutyl(phenoxy)stannyl]oxystannane

C40H82Br2O4Sn4 — CID 158948937

IUPACbromo-dibutyl-[dibutyl(ethoxy)stannyl]oxystannane;bromo-dibutyl-[dibutyl(phenoxy)stannyl]oxystannane
SMILESCCCC[Sn](Br)(CCCC)O[Sn](CCCC)(CCCC)OCC.CCCC[Sn](Br)(CCCC)O[Sn](CCCC)(CCCC)Oc1ccccc1
InChIInChI=1S/C6H6O.8C4H9.C2H5O.2BrH.2O.4Sn/c7-6-4-2-1-3-5-6;8*1-3-4-2;1-2-3;;;;;;;;/h1-5,7H;8*1,3-4H2,2H3;2H2,1H3;2*1H;;;;;;/q;;;;;;;;;-1;;;;;4*+1/p-3
InChIKeyJLEFSGFSRHKFKT-UHFFFAOYSA-K
MW1261.74 g/mol
LogP16.08
Rot. Bonds32

About bromo-dibutyl-[dibutyl(ethoxy)stannyl]oxystannane;bromo-dibutyl-[dibutyl(phenoxy)stannyl]oxystannane

bromo-dibutyl-[dibutyl(ethoxy)stannyl]oxystannane;bromo-dibutyl-[dibutyl(phenoxy)stannyl]oxystannane (PubChem CID 158948937) has the molecular formula C40H82Br2O4Sn4 and a molecular weight of 1261.74 g/mol. Its IUPAC name is bromo-dibutyl-[dibutyl(ethoxy)stannyl]oxystannane;bromo-dibutyl-[dibutyl(phenoxy)stannyl]oxystannane.

Molecular Properties

Compound Namebromo-dibutyl-[dibutyl(ethoxy)stannyl]oxystannane;bromo-dibutyl-[dibutyl(phenoxy)stannyl]oxystannane
PubChem CID158948937
Molecular FormulaC40H82Br2O4Sn4
Molecular Weight1261.74 g/mol
Exact Mass1264.07
IUPAC Namebromo-dibutyl-[dibutyl(ethoxy)stannyl]oxystannane;bromo-dibutyl-[dibutyl(phenoxy)stannyl]oxystannane
SMILESCCCC[Sn](Br)(CCCC)O[Sn](CCCC)(CCCC)OCC.CCCC[Sn](Br)(CCCC)O[Sn](CCCC)(CCCC)Oc1ccccc1
InChIInChI=1S/C6H6O.8C4H9.C2H5O.2BrH.2O.4Sn/c7-6-4-2-1-3-5-6;8*1-3-4-2;1-2-3;;;;;;;;/h1-5,7H;8*1,3-4H2,2H3;2H2,1H3;2*1H;;;;;;/q;;;;;;;;;-1;;;;;4*+1/p-3
InChIKeyJLEFSGFSRHKFKT-UHFFFAOYSA-K
XLogP16.08
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds32
Heavy Atoms50
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001261.74
LogP ≤ 516.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

tributyl(2-phenoxyethyl)stannane
CID 67611861
[[benzoyloxy(dibutyl)stannyl]oxy-dibutylstannyl] benzoate
CID 16705135
sulfane;bis(tributyl(phenyl)stannane)
CID 67835272
butyl-tris(phenylmethoxy)stannane
CID 16688200
dibutyl-[dibutyl-(3-methyl-2-pentylphenoxy)stannyl]oxy-(3-methyl-2-pentylphenoxy)stannane
CID 67501542
[dibutyl-[hydroxy(phenyl)arsoryl]oxystannyl]oxy-phenylarsinic acid
CID 71319306
dibutyl-[dibutyl-(2-methyl-3-pentylphenoxy)stannyl]oxy-(2-methyl-3-pentylphenoxy)stannane
CID 67501540
pentoxybenzene;undecane
CID 174778179
bis(decane);phenoxyphosphane
CID 91140487
[butyl(methoxy)phosphoryl]oxybenzene
CID 125474824
CID 177463927
CID 177463927
dibutyl-bis[2-(2-methylpentan-2-yl)phenoxy]stannane
CID 67502104

Frequently Asked Questions

What is the IUPAC name of bromo-dibutyl-[dibutyl(ethoxy)stannyl]oxystannane;bromo-dibutyl-[dibutyl(phenoxy)stannyl]oxystannane?
The IUPAC name of bromo-dibutyl-[dibutyl(ethoxy)stannyl]oxystannane;bromo-dibutyl-[dibutyl(phenoxy)stannyl]oxystannane (CID 158948937) is bromo-dibutyl-[dibutyl(ethoxy)stannyl]oxystannane;bromo-dibutyl-[dibutyl(phenoxy)stannyl]oxystannane.
What is the SMILES notation for bromo-dibutyl-[dibutyl(ethoxy)stannyl]oxystannane;bromo-dibutyl-[dibutyl(phenoxy)stannyl]oxystannane?
The canonical SMILES for bromo-dibutyl-[dibutyl(ethoxy)stannyl]oxystannane;bromo-dibutyl-[dibutyl(phenoxy)stannyl]oxystannane is CCCC[Sn](Br)(CCCC)O[Sn](CCCC)(CCCC)OCC.CCCC[Sn](Br)(CCCC)O[Sn](CCCC)(CCCC)Oc1ccccc1.
What is the InChIKey of bromo-dibutyl-[dibutyl(ethoxy)stannyl]oxystannane;bromo-dibutyl-[dibutyl(phenoxy)stannyl]oxystannane?
The InChIKey is JLEFSGFSRHKFKT-UHFFFAOYSA-K. The full InChI is InChI=1S/C6H6O.8C4H9.C2H5O.2BrH.2O.4Sn/c7-6-4-2-1-3-5-6;8*1-3-4-2;1-2-3;;;;;;;;/h1-5,7H;8*1,3-4H2,2H3;2H2,1H3;2*1H;;;;;;/q;;;;;;;;;-1;;;;;4*+1/p-3.
What are the key properties of bromo-dibutyl-[dibutyl(ethoxy)stannyl]oxystannane;bromo-dibutyl-[dibutyl(phenoxy)stannyl]oxystannane?
bromo-dibutyl-[dibutyl(ethoxy)stannyl]oxystannane;bromo-dibutyl-[dibutyl(phenoxy)stannyl]oxystannane has a molecular weight of 1261.74 g/mol, XLogP of 16.08, 32 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for bromo-dibutyl-[dibutyl(ethoxy)stannyl]oxystannane;bromo-dibutyl-[dibutyl(phenoxy)stannyl]oxystannane is sourced from PubChem (CID 158948937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).