4-triethoxysilylbutanal

C10H22O4Si — CID 44516815

IUPAC4-triethoxysilylbutanal
SMILESCCO[Si](CCCC=O)(OCC)OCC
InChIInChI=1S/C10H22O4Si/c1-4-12-15(13-5-2,14-6-3)10-8-7-9-11/h9H,4-8,10H2,1-3H3
InChIKeyAUNDWZCDAOTGDQ-UHFFFAOYSA-N
MW234.37 g/mol
LogP2.01
Rot. Bonds10

About 4-triethoxysilylbutanal

4-triethoxysilylbutanal (PubChem CID 44516815) has the molecular formula C10H22O4Si and a molecular weight of 234.37 g/mol. Its IUPAC name is 4-triethoxysilylbutanal.

Molecular Properties

Compound Name4-triethoxysilylbutanal
PubChem CID44516815
Molecular FormulaC10H22O4Si
Molecular Weight234.37 g/mol
Exact Mass234.13
IUPAC Name4-triethoxysilylbutanal
SMILESCCO[Si](CCCC=O)(OCC)OCC
InChIInChI=1S/C10H22O4Si/c1-4-12-15(13-5-2,14-6-3)10-8-7-9-11/h9H,4-8,10H2,1-3H3
InChIKeyAUNDWZCDAOTGDQ-UHFFFAOYSA-N
XLogP2.01
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.37
LogP ≤ 52.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-triethoxysilylbutanal?
The IUPAC name of 4-triethoxysilylbutanal (CID 44516815) is 4-triethoxysilylbutanal.
What is the SMILES notation for 4-triethoxysilylbutanal?
The canonical SMILES for 4-triethoxysilylbutanal is CCO[Si](CCCC=O)(OCC)OCC.
What is the InChIKey of 4-triethoxysilylbutanal?
The InChIKey is AUNDWZCDAOTGDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22O4Si/c1-4-12-15(13-5-2,14-6-3)10-8-7-9-11/h9H,4-8,10H2,1-3H3.
What are the key properties of 4-triethoxysilylbutanal?
4-triethoxysilylbutanal has a molecular weight of 234.37 g/mol, XLogP of 2.01, 10 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-triethoxysilylbutanal is sourced from PubChem (CID 44516815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).