tetrakis(1-ethoxy-1-methoxyethyl) silicate

C20H44O12Si — CID 87138862

IUPACtetrakis(1-ethoxy-1-methoxyethyl) silicate
SMILESCCOC(C)(OC)O[Si](OC(C)(OC)OCC)(OC(C)(OC)OCC)OC(C)(OC)OCC
InChIInChI=1S/C20H44O12Si/c1-13-25-17(5,21-9)29-33(30-18(6,22-10)26-14-2,31-19(7,23-11)27-15-3)32-20(8,24-12)28-16-4/h13-16H2,1-12H3
InChIKeySCDMVSOARVDTJW-UHFFFAOYSA-N
MW504.65 g/mol
LogP2.91
Rot. Bonds20

About tetrakis(1-ethoxy-1-methoxyethyl) silicate

tetrakis(1-ethoxy-1-methoxyethyl) silicate (PubChem CID 87138862) has the molecular formula C20H44O12Si and a molecular weight of 504.65 g/mol. Its IUPAC name is tetrakis(1-ethoxy-1-methoxyethyl) silicate.

Molecular Properties

Compound Nametetrakis(1-ethoxy-1-methoxyethyl) silicate
PubChem CID87138862
Molecular FormulaC20H44O12Si
Molecular Weight504.65 g/mol
Exact Mass504.26
IUPAC Nametetrakis(1-ethoxy-1-methoxyethyl) silicate
SMILESCCOC(C)(OC)O[Si](OC(C)(OC)OCC)(OC(C)(OC)OCC)OC(C)(OC)OCC
InChIInChI=1S/C20H44O12Si/c1-13-25-17(5,21-9)29-33(30-18(6,22-10)26-14-2,31-19(7,23-11)27-15-3)32-20(8,24-12)28-16-4/h13-16H2,1-12H3
InChIKeySCDMVSOARVDTJW-UHFFFAOYSA-N
XLogP2.91
TPSA110.76 Ų
H-Bond Donors
H-Bond Acceptors12
Rotatable Bonds20
Heavy Atoms33
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500504.65
LogP ≤ 52.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1012

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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Frequently Asked Questions

What is the IUPAC name of tetrakis(1-ethoxy-1-methoxyethyl) silicate?
The IUPAC name of tetrakis(1-ethoxy-1-methoxyethyl) silicate (CID 87138862) is tetrakis(1-ethoxy-1-methoxyethyl) silicate.
What is the SMILES notation for tetrakis(1-ethoxy-1-methoxyethyl) silicate?
The canonical SMILES for tetrakis(1-ethoxy-1-methoxyethyl) silicate is CCOC(C)(OC)O[Si](OC(C)(OC)OCC)(OC(C)(OC)OCC)OC(C)(OC)OCC.
What is the InChIKey of tetrakis(1-ethoxy-1-methoxyethyl) silicate?
The InChIKey is SCDMVSOARVDTJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H44O12Si/c1-13-25-17(5,21-9)29-33(30-18(6,22-10)26-14-2,31-19(7,23-11)27-15-3)32-20(8,24-12)28-16-4/h13-16H2,1-12H3.
What are the key properties of tetrakis(1-ethoxy-1-methoxyethyl) silicate?
tetrakis(1-ethoxy-1-methoxyethyl) silicate has a molecular weight of 504.65 g/mol, XLogP of 2.91, 20 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for tetrakis(1-ethoxy-1-methoxyethyl) silicate is sourced from PubChem (CID 87138862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).