4-trimethylsilylbutanal

C7H16OSi — CID 23161281

IUPAC4-trimethylsilylbutanal
SMILESC[Si](C)(C)CCCC=O
InChIInChI=1S/C7H16OSi/c1-9(2,3)7-5-4-6-8/h6H,4-5,7H2,1-3H3
InChIKeyLVTFDWNJGCCFKG-UHFFFAOYSA-N
MW144.29 g/mol
LogP2.30
Rot. Bonds4

About 4-trimethylsilylbutanal

4-trimethylsilylbutanal (PubChem CID 23161281) has the molecular formula C7H16OSi and a molecular weight of 144.29 g/mol. Its IUPAC name is 4-trimethylsilylbutanal.

Molecular Properties

Compound Name4-trimethylsilylbutanal
PubChem CID23161281
Molecular FormulaC7H16OSi
Molecular Weight144.29 g/mol
Exact Mass144.10
IUPAC Name4-trimethylsilylbutanal
SMILESC[Si](C)(C)CCCC=O
InChIInChI=1S/C7H16OSi/c1-9(2,3)7-5-4-6-8/h6H,4-5,7H2,1-3H3
InChIKeyLVTFDWNJGCCFKG-UHFFFAOYSA-N
XLogP2.30
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500144.29
LogP ≤ 52.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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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Related Compounds

1-(Trimethylsilyl)cyclopropane-1-carbaldehyde
CID 12753687
3-Trimethylsilylpropanal
CID 10986254
2-[Tert-butyl(dimethyl)silyl]propanal
CID 11789684
3-(Trimethylsilyl)butanal
CID 14617524
3-Trimethylsilylpentanal
CID 12824378
2-(Triethylsilyl)propionaldehyde
CID 10855969
2-Trimethylsilyl-1-propanal
CID 11040736
3-Triethylsilylpropanal
CID 11769032
Triethylsilylbutanal
CID 20405688
5-(Triisopropylsilyl)pent-4-ynal
CID 42636688
Trimethoxysilylbutanal
CID 87390606
2-Methyl-2-tri(propan-2-yl)silylpropanal
CID 11128071

Frequently Asked Questions

What is the IUPAC name of 4-trimethylsilylbutanal?
The IUPAC name of 4-trimethylsilylbutanal (CID 23161281) is 4-trimethylsilylbutanal.
What is the SMILES notation for 4-trimethylsilylbutanal?
The canonical SMILES for 4-trimethylsilylbutanal is C[Si](C)(C)CCCC=O.
What is the InChIKey of 4-trimethylsilylbutanal?
The InChIKey is LVTFDWNJGCCFKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H16OSi/c1-9(2,3)7-5-4-6-8/h6H,4-5,7H2,1-3H3.
What are the key properties of 4-trimethylsilylbutanal?
4-trimethylsilylbutanal has a molecular weight of 144.29 g/mol, XLogP of 2.30, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-trimethylsilylbutanal is sourced from PubChem (CID 23161281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).