tris[dimethyl(2-trimethoxysilylethyl)silyl] [3-ethoxypropyl(dimethyl)silyl] silicate

C28H74O14Si8 — CID 59593661

IUPACtris[dimethyl(2-trimethoxysilylethyl)silyl] [3-ethoxypropyl(dimethyl)silyl] silicate
SMILESCCOCCC[Si](C)(C)O[Si](O[Si](C)(C)CC[Si](OC)(OC)OC)(O[Si](C)(C)CC[Si](OC)(OC)OC)O[Si](C)(C)CC[Si](OC)(OC)OC
InChIInChI=1S/C28H74O14Si8/c1-19-38-21-20-22-43(11,12)39-50(40-44(13,14)23-26-47(29-2,30-3)31-4,41-45(15,16)24-27-48(32-5,33-6)34-7)42-46(17,18)25-28-49(35-8,36-9)37-10/h19-28H2,1-18H3
InChIKeyPMAZYGLDEDPNSD-UHFFFAOYSA-N
MW859.57 g/mol
LogP6.37
Rot. Bonds31

About tris[dimethyl(2-trimethoxysilylethyl)silyl] [3-ethoxypropyl(dimethyl)silyl] silicate

tris[dimethyl(2-trimethoxysilylethyl)silyl] [3-ethoxypropyl(dimethyl)silyl] silicate (PubChem CID 59593661) has the molecular formula C28H74O14Si8 and a molecular weight of 859.57 g/mol. Its IUPAC name is tris[dimethyl(2-trimethoxysilylethyl)silyl] [3-ethoxypropyl(dimethyl)silyl] silicate.

Molecular Properties

Compound Nametris[dimethyl(2-trimethoxysilylethyl)silyl] [3-ethoxypropyl(dimethyl)silyl] silicate
PubChem CID59593661
Molecular FormulaC28H74O14Si8
Molecular Weight859.57 g/mol
Exact Mass858.32
IUPAC Nametris[dimethyl(2-trimethoxysilylethyl)silyl] [3-ethoxypropyl(dimethyl)silyl] silicate
SMILESCCOCCC[Si](C)(C)O[Si](O[Si](C)(C)CC[Si](OC)(OC)OC)(O[Si](C)(C)CC[Si](OC)(OC)OC)O[Si](C)(C)CC[Si](OC)(OC)OC
InChIInChI=1S/C28H74O14Si8/c1-19-38-21-20-22-43(11,12)39-50(40-44(13,14)23-26-47(29-2,30-3)31-4,41-45(15,16)24-27-48(32-5,33-6)34-7)42-46(17,18)25-28-49(35-8,36-9)37-10/h19-28H2,1-18H3
InChIKeyPMAZYGLDEDPNSD-UHFFFAOYSA-N
XLogP6.37
TPSA129.22 Ų
H-Bond Donors
H-Bond Acceptors14
Rotatable Bonds31
Heavy Atoms50
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500859.57
LogP ≤ 56.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1014

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 tris[dimethyl(2-trimethoxysilylethyl)silyl] [3-ethoxypropyl(dimethyl)silyl] silicate?
The IUPAC name of tris[dimethyl(2-trimethoxysilylethyl)silyl] [3-ethoxypropyl(dimethyl)silyl] silicate (CID 59593661) is tris[dimethyl(2-trimethoxysilylethyl)silyl] [3-ethoxypropyl(dimethyl)silyl] silicate.
What is the SMILES notation for tris[dimethyl(2-trimethoxysilylethyl)silyl] [3-ethoxypropyl(dimethyl)silyl] silicate?
The canonical SMILES for tris[dimethyl(2-trimethoxysilylethyl)silyl] [3-ethoxypropyl(dimethyl)silyl] silicate is CCOCCC[Si](C)(C)O[Si](O[Si](C)(C)CC[Si](OC)(OC)OC)(O[Si](C)(C)CC[Si](OC)(OC)OC)O[Si](C)(C)CC[Si](OC)(OC)OC.
What is the InChIKey of tris[dimethyl(2-trimethoxysilylethyl)silyl] [3-ethoxypropyl(dimethyl)silyl] silicate?
The InChIKey is PMAZYGLDEDPNSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H74O14Si8/c1-19-38-21-20-22-43(11,12)39-50(40-44(13,14)23-26-47(29-2,30-3)31-4,41-45(15,16)24-27-48(32-5,33-6)34-7)42-46(17,18)25-28-49(35-8,36-9)37-10/h19-28H2,1-18H3.
What are the key properties of tris[dimethyl(2-trimethoxysilylethyl)silyl] [3-ethoxypropyl(dimethyl)silyl] silicate?
tris[dimethyl(2-trimethoxysilylethyl)silyl] [3-ethoxypropyl(dimethyl)silyl] silicate has a molecular weight of 859.57 g/mol, XLogP of 6.37, 31 rotatable bonds, 0 hydrogen bond donors, and 14 hydrogen bond acceptors.
Where does this data come from?
All data for tris[dimethyl(2-trimethoxysilylethyl)silyl] [3-ethoxypropyl(dimethyl)silyl] silicate is sourced from PubChem (CID 59593661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).