trihydroxy(trihydroxysilyloxy)silane

A summary of the most common chemical descriptors (InChI Key and SMILES codes) for trihydroxy(trihydroxysilyloxy)silane are summarized together with 3D and 2D structures and relevant physico-chemical properties.

What is trihydroxy(trihydroxysilyloxy)silane?

The molecule trihydroxy(trihydroxysilyloxy)silane presents a molecular formula of H6O7Si2 and its IUPAC name is tris(oxidanyl)-tris(oxidanyl)silyloxy-silane.

3D structure

Cartesian coordinates

Geometry of trihydroxy(trihydroxysilyloxy)silane in x, y and z coordinates (Å units) to copy/paste elsewhere. Generated with Open Babel software.

2D drawing

 

trihydroxy(trihydroxysilyloxy)silane KDJOAYSYCXTQGG-UHFFFAOYSA-N chemical compound 2D structure molecule svg
trihydroxy(trihydroxysilyloxy)silane

 

Molecule descriptors

 
IUPAC nametrihydroxy(trihydroxysilyloxy)silane
InChI codeInChI=1S/H6O7Si2/c1-8(2,3)7-9(4,5)6/h1-6H
InChI KeyKDJOAYSYCXTQGG-UHFFFAOYSA-N
SMILESO[Si](O)(O)O[Si](O)(O)O

Physico-Chemical properties

IUPAC nametris(oxidanyl)-tris(oxidanyl)silyloxy-silane
Molecular formulaH6O7Si2
Molecular weight174.21
Melting point (ºC)
Boiling point (ºC)
Density (g/cm3)
Molar refractivity
LogP
Topological polar surface area131

LogP and topological polar surface area (TPSA) values were estimated using Open Babel software.

The n-octanol/water partition coeficient (Kow) data is applied in toxicology and drug research. Kow values are used, to guess the environmental fate of persistent organic pollutants. High partition coefficients values, tend to accumulate in the fatty tissue of organisms. Molecules with a log(Kow) (or LogP) greater than 5 are considered to bioaccumulate.

TPSA values are the sum of the surface area over all polar atoms or molecules, mainly oxygen and nitrogen, also including hydrogen atoms.

In medicinal chemistry, TPSA is used to assess the ability of a drug to permeabilise cells.

For molecules to penetrate the blood-brain barrier (and act on receptors in the central nervous system), TPSA values below 90 Å2 are required. Thus, molecules with a polar surface area greater than 140 Å2 tend to be poorly permeable to cell membranes.