3-triethylsilylpropanal

C9H20OSi — CID 11769032

IUPAC3-triethylsilylpropanal
SMILESCC[Si](CC)(CC)CCC=O
InChIInChI=1S/C9H20OSi/c1-4-11(5-2,6-3)9-7-8-10/h8H,4-7,9H2,1-3H3
InChIKeyRPEYZWJSTOSYGE-UHFFFAOYSA-N
MW172.34 g/mol
LogP3.08
Rot. Bonds6

About 3-triethylsilylpropanal

3-triethylsilylpropanal (PubChem CID 11769032) has the molecular formula C9H20OSi and a molecular weight of 172.34 g/mol. Its IUPAC name is 3-triethylsilylpropanal.

Molecular Properties

Compound Name3-triethylsilylpropanal
PubChem CID11769032
Molecular FormulaC9H20OSi
Molecular Weight172.34 g/mol
Exact Mass172.13
IUPAC Name3-triethylsilylpropanal
SMILESCC[Si](CC)(CC)CCC=O
InChIInChI=1S/C9H20OSi/c1-4-11(5-2,6-3)9-7-8-10/h8H,4-7,9H2,1-3H3
InChIKeyRPEYZWJSTOSYGE-UHFFFAOYSA-N
XLogP3.08
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
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'}

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Frequently Asked Questions

What is the IUPAC name of 3-triethylsilylpropanal?
The IUPAC name of 3-triethylsilylpropanal (CID 11769032) is 3-triethylsilylpropanal.
What is the SMILES notation for 3-triethylsilylpropanal?
The canonical SMILES for 3-triethylsilylpropanal is CC[Si](CC)(CC)CCC=O.
What is the InChIKey of 3-triethylsilylpropanal?
The InChIKey is RPEYZWJSTOSYGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20OSi/c1-4-11(5-2,6-3)9-7-8-10/h8H,4-7,9H2,1-3H3.
What are the key properties of 3-triethylsilylpropanal?
3-triethylsilylpropanal has a molecular weight of 172.34 g/mol, XLogP of 3.08, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-triethylsilylpropanal is sourced from PubChem (CID 11769032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).