2-phenyl-3-trimethylsilylpropanal

C12H18OSi — CID 13230450

IUPAC2-phenyl-3-trimethylsilylpropanal
SMILESC[Si](C)(C)CC(C=O)c1ccccc1
InChIInChI=1S/C12H18OSi/c1-14(2,3)10-12(9-13)11-7-5-4-6-8-11/h4-9,12H,10H2,1-3H3
InChIKeyGEQVXUQIFALRTL-UHFFFAOYSA-N
MW206.36 g/mol
LogP3.31
Rot. Bonds4

About 2-phenyl-3-trimethylsilylpropanal

2-phenyl-3-trimethylsilylpropanal (PubChem CID 13230450) has the molecular formula C12H18OSi and a molecular weight of 206.36 g/mol. Its IUPAC name is 2-phenyl-3-trimethylsilylpropanal.

Molecular Properties

Compound Name2-phenyl-3-trimethylsilylpropanal
PubChem CID13230450
Molecular FormulaC12H18OSi
Molecular Weight206.36 g/mol
Exact Mass206.11
IUPAC Name2-phenyl-3-trimethylsilylpropanal
SMILESC[Si](C)(C)CC(C=O)c1ccccc1
InChIInChI=1S/C12H18OSi/c1-14(2,3)10-12(9-13)11-7-5-4-6-8-11/h4-9,12H,10H2,1-3H3
InChIKeyGEQVXUQIFALRTL-UHFFFAOYSA-N
XLogP3.31
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 ≤ 53.31
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-phenyl-3-trimethylsilylpropanal?
The IUPAC name of 2-phenyl-3-trimethylsilylpropanal (CID 13230450) is 2-phenyl-3-trimethylsilylpropanal.
What is the SMILES notation for 2-phenyl-3-trimethylsilylpropanal?
The canonical SMILES for 2-phenyl-3-trimethylsilylpropanal is C[Si](C)(C)CC(C=O)c1ccccc1.
What is the InChIKey of 2-phenyl-3-trimethylsilylpropanal?
The InChIKey is GEQVXUQIFALRTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18OSi/c1-14(2,3)10-12(9-13)11-7-5-4-6-8-11/h4-9,12H,10H2,1-3H3.
What are the key properties of 2-phenyl-3-trimethylsilylpropanal?
2-phenyl-3-trimethylsilylpropanal has a molecular weight of 206.36 g/mol, XLogP of 3.31, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-3-trimethylsilylpropanal is sourced from PubChem (CID 13230450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).