2-[butyl(dimethyl)silyl]oxyacetaldehyde

C8H18O2Si — CID 3771863

IUPAC2-[butyl(dimethyl)silyl]oxyacetaldehyde
SMILESCCCC[Si](C)(C)OCC=O
InChIInChI=1S/C8H18O2Si/c1-4-5-8-11(2,3)10-7-6-9/h6H,4-5,7-8H2,1-3H3
InChIKeyVEKBIAZGPQGLKO-UHFFFAOYSA-N
MW174.32 g/mol
LogP2.21
Rot. Bonds6

About 2-[butyl(dimethyl)silyl]oxyacetaldehyde

2-[butyl(dimethyl)silyl]oxyacetaldehyde (PubChem CID 3771863) has the molecular formula C8H18O2Si and a molecular weight of 174.32 g/mol. Its IUPAC name is 2-[butyl(dimethyl)silyl]oxyacetaldehyde.

Molecular Properties

Compound Name2-[butyl(dimethyl)silyl]oxyacetaldehyde
PubChem CID3771863
Molecular FormulaC8H18O2Si
Molecular Weight174.32 g/mol
Exact Mass174.11
IUPAC Name2-[butyl(dimethyl)silyl]oxyacetaldehyde
SMILESCCCC[Si](C)(C)OCC=O
InChIInChI=1S/C8H18O2Si/c1-4-5-8-11(2,3)10-7-6-9/h6H,4-5,7-8H2,1-3H3
InChIKeyVEKBIAZGPQGLKO-UHFFFAOYSA-N
XLogP2.21
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.32
LogP ≤ 52.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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 2-[butyl(dimethyl)silyl]oxyacetaldehyde?
The IUPAC name of 2-[butyl(dimethyl)silyl]oxyacetaldehyde (CID 3771863) is 2-[butyl(dimethyl)silyl]oxyacetaldehyde.
What is the SMILES notation for 2-[butyl(dimethyl)silyl]oxyacetaldehyde?
The canonical SMILES for 2-[butyl(dimethyl)silyl]oxyacetaldehyde is CCCC[Si](C)(C)OCC=O.
What is the InChIKey of 2-[butyl(dimethyl)silyl]oxyacetaldehyde?
The InChIKey is VEKBIAZGPQGLKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18O2Si/c1-4-5-8-11(2,3)10-7-6-9/h6H,4-5,7-8H2,1-3H3.
What are the key properties of 2-[butyl(dimethyl)silyl]oxyacetaldehyde?
2-[butyl(dimethyl)silyl]oxyacetaldehyde has a molecular weight of 174.32 g/mol, XLogP of 2.21, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[butyl(dimethyl)silyl]oxyacetaldehyde is sourced from PubChem (CID 3771863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).