3-(2-trimethylsilylphenyl)propanal

C12H18OSi — CID 54297414

IUPAC3-(2-trimethylsilylphenyl)propanal
SMILESC[Si](C)(C)c1ccccc1CCC=O
InChIInChI=1S/C12H18OSi/c1-14(2,3)12-9-5-4-7-11(12)8-6-10-13/h4-5,7,9-10H,6,8H2,1-3H3
InChIKeyVVOHLWOXEXFHLC-UHFFFAOYSA-N
MW206.36 g/mol
LogP2.36
Rot. Bonds4

About 3-(2-trimethylsilylphenyl)propanal

3-(2-trimethylsilylphenyl)propanal (PubChem CID 54297414) has the molecular formula C12H18OSi and a molecular weight of 206.36 g/mol. Its IUPAC name is 3-(2-trimethylsilylphenyl)propanal.

Molecular Properties

Compound Name3-(2-trimethylsilylphenyl)propanal
PubChem CID54297414
Molecular FormulaC12H18OSi
Molecular Weight206.36 g/mol
Exact Mass206.11
IUPAC Name3-(2-trimethylsilylphenyl)propanal
SMILESC[Si](C)(C)c1ccccc1CCC=O
InChIInChI=1S/C12H18OSi/c1-14(2,3)12-9-5-4-7-11(12)8-6-10-13/h4-5,7,9-10H,6,8H2,1-3H3
InChIKeyVVOHLWOXEXFHLC-UHFFFAOYSA-N
XLogP2.36
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.36
LogP ≤ 52.36
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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Related Compounds

Phenylacetaldehyde
CID 998
Lilial
CID 228987
Cyclamen aldehyde
CID 517827
alpha-Hexylcinnamaldehyde
CID 1550884
Benzenepropanal
CID 7707
2-Benzylideneheptanal
CID 1712058
alpha-Amylcinnamaldehyde, (E)-
CID 1623625
2-Phenylpropanal
CID 7146
3-Phenylbutanal
CID 85979
Amylcinnamaldehyde
CID 31209
2-Methyl-3-(p-tolyl)propanal
CID 95594
2-(p-Tolyl)propanal
CID 60990

Frequently Asked Questions

What is the IUPAC name of 3-(2-trimethylsilylphenyl)propanal?
The IUPAC name of 3-(2-trimethylsilylphenyl)propanal (CID 54297414) is 3-(2-trimethylsilylphenyl)propanal.
What is the SMILES notation for 3-(2-trimethylsilylphenyl)propanal?
The canonical SMILES for 3-(2-trimethylsilylphenyl)propanal is C[Si](C)(C)c1ccccc1CCC=O.
What is the InChIKey of 3-(2-trimethylsilylphenyl)propanal?
The InChIKey is VVOHLWOXEXFHLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18OSi/c1-14(2,3)12-9-5-4-7-11(12)8-6-10-13/h4-5,7,9-10H,6,8H2,1-3H3.
What are the key properties of 3-(2-trimethylsilylphenyl)propanal?
3-(2-trimethylsilylphenyl)propanal has a molecular weight of 206.36 g/mol, XLogP of 2.36, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-trimethylsilylphenyl)propanal is sourced from PubChem (CID 54297414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).