2-(4-methylphenyl)-3-phenyl-2-triethylsilyloxypropanal

C22H30O2Si — CID 102401930

IUPAC2-(4-methylphenyl)-3-phenyl-2-triethylsilyloxypropanal
SMILESCC[Si](CC)(CC)OC(C=O)(Cc1ccccc1)c1ccc(C)cc1
InChIInChI=1S/C22H30O2Si/c1-5-25(6-2,7-3)24-22(18-23,17-20-11-9-8-10-12-20)21-15-13-19(4)14-16-21/h8-16,18H,5-7,17H2,1-4H3
InChIKeyZVKLVWHYCSKKNO-UHFFFAOYSA-N
MW354.57 g/mol
LogP5.65
Rot. Bonds9

About 2-(4-methylphenyl)-3-phenyl-2-triethylsilyloxypropanal

2-(4-methylphenyl)-3-phenyl-2-triethylsilyloxypropanal (PubChem CID 102401930) has the molecular formula C22H30O2Si and a molecular weight of 354.57 g/mol. Its IUPAC name is 2-(4-methylphenyl)-3-phenyl-2-triethylsilyloxypropanal.

Molecular Properties

Compound Name2-(4-methylphenyl)-3-phenyl-2-triethylsilyloxypropanal
PubChem CID102401930
Molecular FormulaC22H30O2Si
Molecular Weight354.57 g/mol
Exact Mass354.20
IUPAC Name2-(4-methylphenyl)-3-phenyl-2-triethylsilyloxypropanal
SMILESCC[Si](CC)(CC)OC(C=O)(Cc1ccccc1)c1ccc(C)cc1
InChIInChI=1S/C22H30O2Si/c1-5-25(6-2,7-3)24-22(18-23,17-20-11-9-8-10-12-20)21-15-13-19(4)14-16-21/h8-16,18H,5-7,17H2,1-4H3
InChIKeyZVKLVWHYCSKKNO-UHFFFAOYSA-N
XLogP5.65
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500354.57
LogP ≤ 55.65
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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Related Compounds

(2S)-2,3-diphenyl-2-triethylsilyloxypropanal
CID 102088595
1-chloro-1-(4-methylphenyl)-2-phenylethanol
CID 139664712
(3R)-5-phenyl-3-triethylsilyloxypentanal
CID 87401786
2,2-dimethoxy-3-phenylpropanal
CID 12836204
1-[diethoxy(phenyl)methyl]-4-methylbenzene
CID 13274602
[(2R)-4-phenyl-2-triethylsilyloxybutyl] 4-methylbenzenesulfonate
CID 87332090
2,2-difluoro-3-(4-methylphenyl)propanal
CID 105440973
(2S,3R)-2-methyl-5-phenyl-3-triethylsilyloxypentanal
CID 10590802
tetrakis(1,2-diphenylbutan-2-yl) silicate
CID 139708431
2-(4-methylphenyl)-4-phenylbutan-2-amine
CID 60797705
1-[2-benzyl-3-bromo-2-(bromomethyl)propyl]-4-methylbenzene
CID 79452764
1-ethyl-4-methylcyclodeca-1,3,5,7,9-pentaene
CID 123858491

Frequently Asked Questions

What is the IUPAC name of 2-(4-methylphenyl)-3-phenyl-2-triethylsilyloxypropanal?
The IUPAC name of 2-(4-methylphenyl)-3-phenyl-2-triethylsilyloxypropanal (CID 102401930) is 2-(4-methylphenyl)-3-phenyl-2-triethylsilyloxypropanal.
What is the SMILES notation for 2-(4-methylphenyl)-3-phenyl-2-triethylsilyloxypropanal?
The canonical SMILES for 2-(4-methylphenyl)-3-phenyl-2-triethylsilyloxypropanal is CC[Si](CC)(CC)OC(C=O)(Cc1ccccc1)c1ccc(C)cc1.
What is the InChIKey of 2-(4-methylphenyl)-3-phenyl-2-triethylsilyloxypropanal?
The InChIKey is ZVKLVWHYCSKKNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H30O2Si/c1-5-25(6-2,7-3)24-22(18-23,17-20-11-9-8-10-12-20)21-15-13-19(4)14-16-21/h8-16,18H,5-7,17H2,1-4H3.
What are the key properties of 2-(4-methylphenyl)-3-phenyl-2-triethylsilyloxypropanal?
2-(4-methylphenyl)-3-phenyl-2-triethylsilyloxypropanal has a molecular weight of 354.57 g/mol, XLogP of 5.65, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methylphenyl)-3-phenyl-2-triethylsilyloxypropanal is sourced from PubChem (CID 102401930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).