[diethoxy(triethoxysilyl)methyl] triethyl silicate

C17H40O9Si2 — CID 58810725

IUPAC[diethoxy(triethoxysilyl)methyl] triethyl silicate
SMILESCCOC(OCC)(O[Si](OCC)(OCC)OCC)[Si](OCC)(OCC)OCC
InChIInChI=1S/C17H40O9Si2/c1-9-18-17(19-10-2,27(20-11-3,21-12-4)22-13-5)26-28(23-14-6,24-15-7)25-16-8/h9-16H2,1-8H3
InChIKeyQFIJPIXVEAJSFN-UHFFFAOYSA-N
MW444.67 g/mol
LogP2.86
Rot. Bonds19

About [diethoxy(triethoxysilyl)methyl] triethyl silicate

[diethoxy(triethoxysilyl)methyl] triethyl silicate (PubChem CID 58810725) has the molecular formula C17H40O9Si2 and a molecular weight of 444.67 g/mol. Its IUPAC name is [diethoxy(triethoxysilyl)methyl] triethyl silicate.

Molecular Properties

Compound Name[diethoxy(triethoxysilyl)methyl] triethyl silicate
PubChem CID58810725
Molecular FormulaC17H40O9Si2
Molecular Weight444.67 g/mol
Exact Mass444.22
IUPAC Name[diethoxy(triethoxysilyl)methyl] triethyl silicate
SMILESCCOC(OCC)(O[Si](OCC)(OCC)OCC)[Si](OCC)(OCC)OCC
InChIInChI=1S/C17H40O9Si2/c1-9-18-17(19-10-2,27(20-11-3,21-12-4)22-13-5)26-28(23-14-6,24-15-7)25-16-8/h9-16H2,1-8H3
InChIKeyQFIJPIXVEAJSFN-UHFFFAOYSA-N
XLogP2.86
TPSA83.07 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds19
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.67
LogP ≤ 52.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

(1,1-diethoxy-2-methylpropyl) triethyl silicate
CID 175465706
1,1-diethoxyethyl(triethoxy)silane
CID 175450759
triethoxy(2-triethoxysilylpropan-2-yl)silane
CID 18432084
tert-butyl-diethoxy-[(2-methylpropan-2-yl)oxy]silane
CID 139722194
(5-amino-2-ethoxypentan-2-yl) diethyl methyl silicate
CID 174781513
(5-amino-2-ethoxypentan-2-yl) triethyl silicate;oxolane
CID 174995931
triethoxy(2,3,3-trimethylbutan-2-yl)silane
CID 18000011
(5-amino-1,1,2-triethoxypentan-2-yl) triethyl silicate
CID 174953555
triethoxy-[1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)propan-2-yl]silane
CID 23523578
ethanolate;silicon(4+);tetraethyl silicate
CID 157195326
(5-amino-2-ethoxypentan-2-yl) triethyl silicate;2-(oxiran-2-ylmethoxymethyl)oxirane
CID 174933644
triethoxy-[1-triethoxysilyl-1-(trisulfanyl)propyl]silane
CID 23499918

Frequently Asked Questions

What is the IUPAC name of [diethoxy(triethoxysilyl)methyl] triethyl silicate?
The IUPAC name of [diethoxy(triethoxysilyl)methyl] triethyl silicate (CID 58810725) is [diethoxy(triethoxysilyl)methyl] triethyl silicate.
What is the SMILES notation for [diethoxy(triethoxysilyl)methyl] triethyl silicate?
The canonical SMILES for [diethoxy(triethoxysilyl)methyl] triethyl silicate is CCOC(OCC)(O[Si](OCC)(OCC)OCC)[Si](OCC)(OCC)OCC.
What is the InChIKey of [diethoxy(triethoxysilyl)methyl] triethyl silicate?
The InChIKey is QFIJPIXVEAJSFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H40O9Si2/c1-9-18-17(19-10-2,27(20-11-3,21-12-4)22-13-5)26-28(23-14-6,24-15-7)25-16-8/h9-16H2,1-8H3.
What are the key properties of [diethoxy(triethoxysilyl)methyl] triethyl silicate?
[diethoxy(triethoxysilyl)methyl] triethyl silicate has a molecular weight of 444.67 g/mol, XLogP of 2.86, 19 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for [diethoxy(triethoxysilyl)methyl] triethyl silicate is sourced from PubChem (CID 58810725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).