dibutoxy-[dibutyl-[dibutoxy(phenyl)silyl]oxystannyl]oxy-phenylsilane

C36H64O6Si2Sn — CID 16717029

IUPACdibutoxy-[dibutyl-[dibutoxy(phenyl)silyl]oxystannyl]oxy-phenylsilane
SMILESCCCCO[Si](OCCCC)(O[Sn](CCCC)(CCCC)O[Si](OCCCC)(OCCCC)c1ccccc1)c1ccccc1
InChIInChI=1S/2C14H23O3Si.2C4H9.Sn/c2*1-3-5-12-16-18(15,17-13-6-4-2)14-10-8-7-9-11-14;2*1-3-4-2;/h2*7-11H,3-6,12-13H2,1-2H3;2*1,3-4H2,2H3;/q2*-1;;;+2
InChIKeyYNGXBJSCMULNNG-UHFFFAOYSA-N
MW767.78 g/mol
LogP9.02
Rot. Bonds28

About dibutoxy-[dibutyl-[dibutoxy(phenyl)silyl]oxystannyl]oxy-phenylsilane

dibutoxy-[dibutyl-[dibutoxy(phenyl)silyl]oxystannyl]oxy-phenylsilane (PubChem CID 16717029) has the molecular formula C36H64O6Si2Sn and a molecular weight of 767.78 g/mol. Its IUPAC name is dibutoxy-[dibutyl-[dibutoxy(phenyl)silyl]oxystannyl]oxy-phenylsilane.

Molecular Properties

Compound Namedibutoxy-[dibutyl-[dibutoxy(phenyl)silyl]oxystannyl]oxy-phenylsilane
PubChem CID16717029
Molecular FormulaC36H64O6Si2Sn
Molecular Weight767.78 g/mol
Exact Mass768.33
IUPAC Namedibutoxy-[dibutyl-[dibutoxy(phenyl)silyl]oxystannyl]oxy-phenylsilane
SMILESCCCCO[Si](OCCCC)(O[Sn](CCCC)(CCCC)O[Si](OCCCC)(OCCCC)c1ccccc1)c1ccccc1
InChIInChI=1S/2C14H23O3Si.2C4H9.Sn/c2*1-3-5-12-16-18(15,17-13-6-4-2)14-10-8-7-9-11-14;2*1-3-4-2;/h2*7-11H,3-6,12-13H2,1-2H3;2*1,3-4H2,2H3;/q2*-1;;;+2
InChIKeyYNGXBJSCMULNNG-UHFFFAOYSA-N
XLogP9.02
TPSA55.38 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds28
Heavy Atoms45
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500767.78
LogP ≤ 59.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of dibutoxy-[dibutyl-[dibutoxy(phenyl)silyl]oxystannyl]oxy-phenylsilane?
The IUPAC name of dibutoxy-[dibutyl-[dibutoxy(phenyl)silyl]oxystannyl]oxy-phenylsilane (CID 16717029) is dibutoxy-[dibutyl-[dibutoxy(phenyl)silyl]oxystannyl]oxy-phenylsilane.
What is the SMILES notation for dibutoxy-[dibutyl-[dibutoxy(phenyl)silyl]oxystannyl]oxy-phenylsilane?
The canonical SMILES for dibutoxy-[dibutyl-[dibutoxy(phenyl)silyl]oxystannyl]oxy-phenylsilane is CCCCO[Si](OCCCC)(O[Sn](CCCC)(CCCC)O[Si](OCCCC)(OCCCC)c1ccccc1)c1ccccc1.
What is the InChIKey of dibutoxy-[dibutyl-[dibutoxy(phenyl)silyl]oxystannyl]oxy-phenylsilane?
The InChIKey is YNGXBJSCMULNNG-UHFFFAOYSA-N. The full InChI is InChI=1S/2C14H23O3Si.2C4H9.Sn/c2*1-3-5-12-16-18(15,17-13-6-4-2)14-10-8-7-9-11-14;2*1-3-4-2;/h2*7-11H,3-6,12-13H2,1-2H3;2*1,3-4H2,2H3;/q2*-1;;;+2.
What are the key properties of dibutoxy-[dibutyl-[dibutoxy(phenyl)silyl]oxystannyl]oxy-phenylsilane?
dibutoxy-[dibutyl-[dibutoxy(phenyl)silyl]oxystannyl]oxy-phenylsilane has a molecular weight of 767.78 g/mol, XLogP of 9.02, 28 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for dibutoxy-[dibutyl-[dibutoxy(phenyl)silyl]oxystannyl]oxy-phenylsilane is sourced from PubChem (CID 16717029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).