[diethoxy(triethoxysilyloxy)silyl] diethyl triethoxysilyl silicate

C20H50O13Si4 — CID 14535000

IUPAC[diethoxy(triethoxysilyloxy)silyl] diethyl triethoxysilyl silicate
SMILESCCO[Si](OCC)(OCC)O[Si](OCC)(OCC)O[Si](OCC)(OCC)O[Si](OCC)(OCC)OCC
InChIInChI=1S/C20H50O13Si4/c1-11-21-34(22-12-2,23-13-3)31-36(27-17-7,28-18-8)33-37(29-19-9,30-20-10)32-35(24-14-4,25-15-5)26-16-6/h11-20H2,1-10H3
InChIKeyNNKAHFKLYXCFDQ-UHFFFAOYSA-N
MW610.95 g/mol
LogP3.14
Rot. Bonds26

About [diethoxy(triethoxysilyloxy)silyl] diethyl triethoxysilyl silicate

[diethoxy(triethoxysilyloxy)silyl] diethyl triethoxysilyl silicate (PubChem CID 14535000) has the molecular formula C20H50O13Si4 and a molecular weight of 610.95 g/mol. Its IUPAC name is [diethoxy(triethoxysilyloxy)silyl] diethyl triethoxysilyl silicate.

Molecular Properties

Compound Name[diethoxy(triethoxysilyloxy)silyl] diethyl triethoxysilyl silicate
PubChem CID14535000
Molecular FormulaC20H50O13Si4
Molecular Weight610.95 g/mol
Exact Mass610.23
IUPAC Name[diethoxy(triethoxysilyloxy)silyl] diethyl triethoxysilyl silicate
SMILESCCO[Si](OCC)(OCC)O[Si](OCC)(OCC)O[Si](OCC)(OCC)O[Si](OCC)(OCC)OCC
InChIInChI=1S/C20H50O13Si4/c1-11-21-34(22-12-2,23-13-3)31-36(27-17-7,28-18-8)33-37(29-19-9,30-20-10)32-35(24-14-4,25-15-5)26-16-6/h11-20H2,1-10H3
InChIKeyNNKAHFKLYXCFDQ-UHFFFAOYSA-N
XLogP3.14
TPSA119.99 Ų
H-Bond Donors
H-Bond Acceptors13
Rotatable Bonds26
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500610.95
LogP ≤ 53.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1013

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [diethoxy(triethoxysilyloxy)silyl] diethyl triethoxysilyl silicate?
The IUPAC name of [diethoxy(triethoxysilyloxy)silyl] diethyl triethoxysilyl silicate (CID 14535000) is [diethoxy(triethoxysilyloxy)silyl] diethyl triethoxysilyl silicate.
What is the SMILES notation for [diethoxy(triethoxysilyloxy)silyl] diethyl triethoxysilyl silicate?
The canonical SMILES for [diethoxy(triethoxysilyloxy)silyl] diethyl triethoxysilyl silicate is CCO[Si](OCC)(OCC)O[Si](OCC)(OCC)O[Si](OCC)(OCC)O[Si](OCC)(OCC)OCC.
What is the InChIKey of [diethoxy(triethoxysilyloxy)silyl] diethyl triethoxysilyl silicate?
The InChIKey is NNKAHFKLYXCFDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H50O13Si4/c1-11-21-34(22-12-2,23-13-3)31-36(27-17-7,28-18-8)33-37(29-19-9,30-20-10)32-35(24-14-4,25-15-5)26-16-6/h11-20H2,1-10H3.
What are the key properties of [diethoxy(triethoxysilyloxy)silyl] diethyl triethoxysilyl silicate?
[diethoxy(triethoxysilyloxy)silyl] diethyl triethoxysilyl silicate has a molecular weight of 610.95 g/mol, XLogP of 3.14, 26 rotatable bonds, 0 hydrogen bond donors, and 13 hydrogen bond acceptors.
Where does this data come from?
All data for [diethoxy(triethoxysilyloxy)silyl] diethyl triethoxysilyl silicate is sourced from PubChem (CID 14535000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).