2-triethylsilylpropanal

C9H20OSi — CID 10855969

IUPAC2-triethylsilylpropanal
SMILESCC[Si](CC)(CC)C(C)C=O
InChIInChI=1S/C9H20OSi/c1-5-11(6-2,7-3)9(4)8-10/h8-9H,5-7H2,1-4H3
InChIKeyCYILYMUFJXWQQM-UHFFFAOYSA-N
MW172.34 g/mol
LogP3.08
Rot. Bonds5

About 2-triethylsilylpropanal

2-triethylsilylpropanal (PubChem CID 10855969) has the molecular formula C9H20OSi and a molecular weight of 172.34 g/mol. Its IUPAC name is 2-triethylsilylpropanal.

Molecular Properties

Compound Name2-triethylsilylpropanal
PubChem CID10855969
Molecular FormulaC9H20OSi
Molecular Weight172.34 g/mol
Exact Mass172.13
IUPAC Name2-triethylsilylpropanal
SMILESCC[Si](CC)(CC)C(C)C=O
InChIInChI=1S/C9H20OSi/c1-5-11(6-2,7-3)9(4)8-10/h8-9H,5-7H2,1-4H3
InChIKeyCYILYMUFJXWQQM-UHFFFAOYSA-N
XLogP3.08
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.34
LogP ≤ 53.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 2-triethylsilylpropanal 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 2-triethylsilylpropanal?
The IUPAC name of 2-triethylsilylpropanal (CID 10855969) is 2-triethylsilylpropanal.
What is the SMILES notation for 2-triethylsilylpropanal?
The canonical SMILES for 2-triethylsilylpropanal is CC[Si](CC)(CC)C(C)C=O.
What is the InChIKey of 2-triethylsilylpropanal?
The InChIKey is CYILYMUFJXWQQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20OSi/c1-5-11(6-2,7-3)9(4)8-10/h8-9H,5-7H2,1-4H3.
What are the key properties of 2-triethylsilylpropanal?
2-triethylsilylpropanal has a molecular weight of 172.34 g/mol, XLogP of 3.08, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-triethylsilylpropanal is sourced from PubChem (CID 10855969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).