2-methyl-3-(4-trimethylsilylphenyl)propanal

C13H20OSi — CID 16664989

IUPAC2-methyl-3-(4-trimethylsilylphenyl)propanal
SMILESCC(C=O)Cc1ccc([Si](C)(C)C)cc1
InChIInChI=1S/C13H20OSi/c1-11(10-14)9-12-5-7-13(8-6-12)15(2,3)4/h5-8,10-11H,9H2,1-4H3
InChIKeyHGWYJGDWNIYAMI-UHFFFAOYSA-N
MW220.39 g/mol
LogP2.61
Rot. Bonds4

About 2-methyl-3-(4-trimethylsilylphenyl)propanal

2-methyl-3-(4-trimethylsilylphenyl)propanal (PubChem CID 16664989) has the molecular formula C13H20OSi and a molecular weight of 220.39 g/mol. Its IUPAC name is 2-methyl-3-(4-trimethylsilylphenyl)propanal.

Molecular Properties

Compound Name2-methyl-3-(4-trimethylsilylphenyl)propanal
PubChem CID16664989
Molecular FormulaC13H20OSi
Molecular Weight220.39 g/mol
Exact Mass220.13
IUPAC Name2-methyl-3-(4-trimethylsilylphenyl)propanal
SMILESCC(C=O)Cc1ccc([Si](C)(C)C)cc1
InChIInChI=1S/C13H20OSi/c1-11(10-14)9-12-5-7-13(8-6-12)15(2,3)4/h5-8,10-11H,9H2,1-4H3
InChIKeyHGWYJGDWNIYAMI-UHFFFAOYSA-N
XLogP2.61
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.39
LogP ≤ 52.61
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 2-methyl-3-(4-trimethylsilylphenyl)propanal?
The IUPAC name of 2-methyl-3-(4-trimethylsilylphenyl)propanal (CID 16664989) is 2-methyl-3-(4-trimethylsilylphenyl)propanal.
What is the SMILES notation for 2-methyl-3-(4-trimethylsilylphenyl)propanal?
The canonical SMILES for 2-methyl-3-(4-trimethylsilylphenyl)propanal is CC(C=O)Cc1ccc([Si](C)(C)C)cc1.
What is the InChIKey of 2-methyl-3-(4-trimethylsilylphenyl)propanal?
The InChIKey is HGWYJGDWNIYAMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20OSi/c1-11(10-14)9-12-5-7-13(8-6-12)15(2,3)4/h5-8,10-11H,9H2,1-4H3.
What are the key properties of 2-methyl-3-(4-trimethylsilylphenyl)propanal?
2-methyl-3-(4-trimethylsilylphenyl)propanal has a molecular weight of 220.39 g/mol, XLogP of 2.61, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-(4-trimethylsilylphenyl)propanal is sourced from PubChem (CID 16664989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).