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Tetrakis(2-Butoxyethyl) Orthosilicate

CAS: 18765-38-3 | C24H52O8Si

2D Structure

3D Structure

Loading 3D structure...

Basic Information

CAS Registry Number: 18765-38-3
Molecular Formula: C24H52O8Si
Molecular Mass: 496.76 g/mol

Names and Synonyms:

Tetrakis(2-Butoxyethyl) Orthosilicate
Silicic acid (H4SiO4), tetrakis(2-butoxyethyl) ester
Ethanol, 2-butoxy-, tetraester with silicic acid (H4SiO4)
Ethanol, 2-butoxy-, silicate
Tetrakis(2-butoxyethyl) orthosilicate

Identifiers:

SMILES:
CCCCOCCO[Si](OCCOCCCC)(OCCOCCCC)OCCOCCCC
InChI:
InChI=1S/C24H52O8Si/c1-5-9-13-25-17-21-29-33(30-22-18-26-14-10-6-2,31-23-19-27-15-11-7-3)32-24-20-28-16-12-8-4/h5-24H2,1-4H3

Spectral Data

NMR, IR, and Mass spectral data

1H NMR
13C NMR
Predicting NMR spectra...
10 ppm 9 8 7 6 5 4 3 2 1 0 ppm
Shift (ppm) Multiplicity Integration Assignment
200 ppm 180 160 140 120 100 80 60 40 20 0 ppm
Shift (ppm) DEPT Assignment

Note: These NMR spectra are predicted computationally and may differ from experimental data. Predictions are based on chemical environment analysis.

External Resources

All Properties

Comprehensive physical and chemical properties

Property Value Source
Molecular Mass 496.76 g/mol CAS Common Chemistry
496.7580000000005 g/mol RDKit
496.34314515399996 g/mol RDKit
Canonical SMILES O(CCO[Si](OCCOCCCC)(OCCOCCCC)OCCOCCCC)CCCC CAS Common Chemistry
InChI InChI=1S/C24H52O8Si/c1-5-9-13-25-17-21-29-33(30-22-18-26-14-10-6-2,31-23-19-27-15-11-7-3)32-24-20-28-16-12-8-4/h5-24H2,1-4H3 CAS Common Chemistry
InChI Key InChIKey=KWBZWRZCDGHBIQ-UHFFFAOYSA-N CAS Common Chemistry
Name Tetrakis(2-butoxyethyl) orthosilicate CAS Common Chemistry
Heavy Atom Count 33 RDKit
Hydrogen Bond Acceptors 8 RDKit
Hydrogen Bond Donors 0 RDKit
Rotatable Bonds 28 RDKit
Aromatic Ring Count 0 RDKit
Topological Polar Surface Area 73.84000000000002 Ų RDKit
LogP 4.755200000000004 RDKit
Molar Refractivity 132.47000000000006 RDKit

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