[dioctyl(triethoxysilyloxy)stannyl] triethyl silicate

C28H64O8Si2Sn — CID 154204012

IUPAC[dioctyl(triethoxysilyloxy)stannyl] triethyl silicate
SMILESCCCCCCCC[Sn](CCCCCCCC)(O[Si](OCC)(OCC)OCC)O[Si](OCC)(OCC)OCC
InChIInChI=1S/2C8H17.2C6H15O4Si.Sn/c2*1-3-5-7-8-6-4-2;2*1-4-8-11(7,9-5-2)10-6-3;/h2*1,3-8H2,2H3;2*4-6H2,1-3H3;/q;;2*-1;+2
InChIKeyOSXBDNMJOXNREH-UHFFFAOYSA-N
MW703.70 g/mol
LogP8.27
Rot. Bonds30

About [dioctyl(triethoxysilyloxy)stannyl] triethyl silicate

[dioctyl(triethoxysilyloxy)stannyl] triethyl silicate (PubChem CID 154204012) has the molecular formula C28H64O8Si2Sn and a molecular weight of 703.70 g/mol. Its IUPAC name is [dioctyl(triethoxysilyloxy)stannyl] triethyl silicate.

Molecular Properties

Compound Name[dioctyl(triethoxysilyloxy)stannyl] triethyl silicate
PubChem CID154204012
Molecular FormulaC28H64O8Si2Sn
Molecular Weight703.70 g/mol
Exact Mass704.32
IUPAC Name[dioctyl(triethoxysilyloxy)stannyl] triethyl silicate
SMILESCCCCCCCC[Sn](CCCCCCCC)(O[Si](OCC)(OCC)OCC)O[Si](OCC)(OCC)OCC
InChIInChI=1S/2C8H17.2C6H15O4Si.Sn/c2*1-3-5-7-8-6-4-2;2*1-4-8-11(7,9-5-2)10-6-3;/h2*1,3-8H2,2H3;2*4-6H2,1-3H3;/q;;2*-1;+2
InChIKeyOSXBDNMJOXNREH-UHFFFAOYSA-N
XLogP8.27
TPSA73.84 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds30
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500703.70
LogP ≤ 58.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Related Compounds

[dibutyl(triethoxysilyloxy)stannyl] triethyl silicate
CID 16684289
dioctyl(dipropoxy)stannane
CID 87371484
diethyl dioctyl silicate
CID 154218739
tridodecyl ethyl silicate
CID 154324829
tetraethyl silicate;triethoxy(octyl)silane
CID 174926814
trimethyl(octadecyl)stannane
CID 154056481
methyl(trioctadecyl)stannane
CID 154048335
dihexyl(dimethyl)stannane
CID 86221007
decane;ruthenium
CID 160818595
ethyl dimethyl pentyl silicate
CID 88851017
decyl-diethoxy-tridecylsilane
CID 139614334
diethoxy-heptadecyl-pentadecylsilane
CID 139614360

Frequently Asked Questions

What is the IUPAC name of [dioctyl(triethoxysilyloxy)stannyl] triethyl silicate?
The IUPAC name of [dioctyl(triethoxysilyloxy)stannyl] triethyl silicate (CID 154204012) is [dioctyl(triethoxysilyloxy)stannyl] triethyl silicate.
What is the SMILES notation for [dioctyl(triethoxysilyloxy)stannyl] triethyl silicate?
The canonical SMILES for [dioctyl(triethoxysilyloxy)stannyl] triethyl silicate is CCCCCCCC[Sn](CCCCCCCC)(O[Si](OCC)(OCC)OCC)O[Si](OCC)(OCC)OCC.
What is the InChIKey of [dioctyl(triethoxysilyloxy)stannyl] triethyl silicate?
The InChIKey is OSXBDNMJOXNREH-UHFFFAOYSA-N. The full InChI is InChI=1S/2C8H17.2C6H15O4Si.Sn/c2*1-3-5-7-8-6-4-2;2*1-4-8-11(7,9-5-2)10-6-3;/h2*1,3-8H2,2H3;2*4-6H2,1-3H3;/q;;2*-1;+2.
What are the key properties of [dioctyl(triethoxysilyloxy)stannyl] triethyl silicate?
[dioctyl(triethoxysilyloxy)stannyl] triethyl silicate has a molecular weight of 703.70 g/mol, XLogP of 8.27, 30 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [dioctyl(triethoxysilyloxy)stannyl] triethyl silicate is sourced from PubChem (CID 154204012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).