diethoxysilyl formate

C5H12O4Si — CID 123189874

IUPACdiethoxysilyl formate
SMILESCCO[SiH](OC=O)OCC
InChIInChI=1S/C5H12O4Si/c1-3-7-10(8-4-2)9-5-6/h5,10H,3-4H2,1-2H3
InChIKeyYYLIFNWDTGVZQX-UHFFFAOYSA-N
MW164.23 g/mol
LogP-0.05
Rot. Bonds6

About diethoxysilyl formate

diethoxysilyl formate (PubChem CID 123189874) has the molecular formula C5H12O4Si and a molecular weight of 164.23 g/mol. Its IUPAC name is diethoxysilyl formate.

Molecular Properties

Compound Namediethoxysilyl formate
PubChem CID123189874
Molecular FormulaC5H12O4Si
Molecular Weight164.23 g/mol
Exact Mass164.05
IUPAC Namediethoxysilyl formate
SMILESCCO[SiH](OC=O)OCC
InChIInChI=1S/C5H12O4Si/c1-3-7-10(8-4-2)9-5-6/h5,10H,3-4H2,1-2H3
InChIKeyYYLIFNWDTGVZQX-UHFFFAOYSA-N
XLogP-0.05
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.23
LogP ≤ 5-0.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of diethoxysilyl formate?
The IUPAC name of diethoxysilyl formate (CID 123189874) is diethoxysilyl formate.
What is the SMILES notation for diethoxysilyl formate?
The canonical SMILES for diethoxysilyl formate is CCO[SiH](OC=O)OCC.
What is the InChIKey of diethoxysilyl formate?
The InChIKey is YYLIFNWDTGVZQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H12O4Si/c1-3-7-10(8-4-2)9-5-6/h5,10H,3-4H2,1-2H3.
What are the key properties of diethoxysilyl formate?
diethoxysilyl formate has a molecular weight of 164.23 g/mol, XLogP of -0.05, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for diethoxysilyl formate is sourced from PubChem (CID 123189874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).