3-triethoxysilylpropanal

C9H20O4Si — CID 22118046

IUPAC3-triethoxysilylpropanal
SMILESCCO[Si](CCC=O)(OCC)OCC
InChIInChI=1S/C9H20O4Si/c1-4-11-14(12-5-2,13-6-3)9-7-8-10/h8H,4-7,9H2,1-3H3
InChIKeyMCALUCJIUQMFGC-UHFFFAOYSA-N
MW220.34 g/mol
LogP1.62
Rot. Bonds9

About 3-triethoxysilylpropanal

3-triethoxysilylpropanal (PubChem CID 22118046) has the molecular formula C9H20O4Si and a molecular weight of 220.34 g/mol. Its IUPAC name is 3-triethoxysilylpropanal.

Molecular Properties

Compound Name3-triethoxysilylpropanal
PubChem CID22118046
Molecular FormulaC9H20O4Si
Molecular Weight220.34 g/mol
Exact Mass220.11
IUPAC Name3-triethoxysilylpropanal
SMILESCCO[Si](CCC=O)(OCC)OCC
InChIInChI=1S/C9H20O4Si/c1-4-11-14(12-5-2,13-6-3)9-7-8-10/h8H,4-7,9H2,1-3H3
InChIKeyMCALUCJIUQMFGC-UHFFFAOYSA-N
XLogP1.62
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.34
LogP ≤ 51.62
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'}

Analyze 3-triethoxysilylpropanal with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-triethoxysilylpropanal?
The IUPAC name of 3-triethoxysilylpropanal (CID 22118046) is 3-triethoxysilylpropanal.
What is the SMILES notation for 3-triethoxysilylpropanal?
The canonical SMILES for 3-triethoxysilylpropanal is CCO[Si](CCC=O)(OCC)OCC.
What is the InChIKey of 3-triethoxysilylpropanal?
The InChIKey is MCALUCJIUQMFGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20O4Si/c1-4-11-14(12-5-2,13-6-3)9-7-8-10/h8H,4-7,9H2,1-3H3.
What are the key properties of 3-triethoxysilylpropanal?
3-triethoxysilylpropanal has a molecular weight of 220.34 g/mol, XLogP of 1.62, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-triethoxysilylpropanal is sourced from PubChem (CID 22118046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).