(2S)-2,3-diphenyl-2-triethylsilyloxypropanal

C21H28O2Si — CID 102088595

IUPAC(2S)-2,3-diphenyl-2-triethylsilyloxypropanal
SMILESCC[Si](CC)(CC)O[C@@](C=O)(Cc1ccccc1)c1ccccc1
InChIInChI=1S/C21H28O2Si/c1-4-24(5-2,6-3)23-21(18-22,20-15-11-8-12-16-20)17-19-13-9-7-10-14-19/h7-16,18H,4-6,17H2,1-3H3/t21-/m1/s1
InChIKeyMGPQMUVONHBLEN-OAQYLSRUSA-N
MW340.54 g/mol
LogP5.35
Rot. Bonds9

About (2S)-2,3-diphenyl-2-triethylsilyloxypropanal

(2S)-2,3-diphenyl-2-triethylsilyloxypropanal (PubChem CID 102088595) has the molecular formula C21H28O2Si and a molecular weight of 340.54 g/mol. Its IUPAC name is (2S)-2,3-diphenyl-2-triethylsilyloxypropanal.

Molecular Properties

Compound Name(2S)-2,3-diphenyl-2-triethylsilyloxypropanal
PubChem CID102088595
Molecular FormulaC21H28O2Si
Molecular Weight340.54 g/mol
Exact Mass340.19
IUPAC Name(2S)-2,3-diphenyl-2-triethylsilyloxypropanal
SMILESCC[Si](CC)(CC)O[C@@](C=O)(Cc1ccccc1)c1ccccc1
InChIInChI=1S/C21H28O2Si/c1-4-24(5-2,6-3)23-21(18-22,20-15-11-8-12-16-20)17-19-13-9-7-10-14-19/h7-16,18H,4-6,17H2,1-3H3/t21-/m1/s1
InChIKeyMGPQMUVONHBLEN-OAQYLSRUSA-N
XLogP5.35
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500340.54
LogP ≤ 55.35
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

2-(4-methylphenyl)-3-phenyl-2-triethylsilyloxypropanal
CID 102401930
(3R)-5-phenyl-3-triethylsilyloxypentanal
CID 87401786
2,2-dimethoxy-3-phenylpropanal
CID 12836204
tetrakis(1,2-diphenylbutan-2-yl) silicate
CID 139708431
4-[1-(4-carboxyphenyl)-1,2-diphenylethyl]benzoic acid
CID 139678861
acetic acid;2-methyl-2,3-diphenylpropanal
CID 174946322
(2S,3R)-2-methyl-5-phenyl-3-triethylsilyloxypentanal
CID 10590802
2-[3-(bromomethyl)phenyl]propan-2-yloxy-triethylsilane
CID 18619316
tris(1,2-diphenylpropan-2-yl) phosphate
CID 139725545
N-[2-((1,2,3,4,5,6-13C6)cyclohexatrienyl)-1-phenylpropan-2-yl]formamide
CID 10490565
(2R)-2-phenyl-2-prop-2-enoxypent-4-enal
CID 101079976
(2R)-2-fluoro-2-phenylbutanal
CID 130623517

Frequently Asked Questions

What is the IUPAC name of (2S)-2,3-diphenyl-2-triethylsilyloxypropanal?
The IUPAC name of (2S)-2,3-diphenyl-2-triethylsilyloxypropanal (CID 102088595) is (2S)-2,3-diphenyl-2-triethylsilyloxypropanal.
What is the SMILES notation for (2S)-2,3-diphenyl-2-triethylsilyloxypropanal?
The canonical SMILES for (2S)-2,3-diphenyl-2-triethylsilyloxypropanal is CC[Si](CC)(CC)O[C@@](C=O)(Cc1ccccc1)c1ccccc1.
What is the InChIKey of (2S)-2,3-diphenyl-2-triethylsilyloxypropanal?
The InChIKey is MGPQMUVONHBLEN-OAQYLSRUSA-N. The full InChI is InChI=1S/C21H28O2Si/c1-4-24(5-2,6-3)23-21(18-22,20-15-11-8-12-16-20)17-19-13-9-7-10-14-19/h7-16,18H,4-6,17H2,1-3H3/t21-/m1/s1.
What are the key properties of (2S)-2,3-diphenyl-2-triethylsilyloxypropanal?
(2S)-2,3-diphenyl-2-triethylsilyloxypropanal has a molecular weight of 340.54 g/mol, XLogP of 5.35, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2,3-diphenyl-2-triethylsilyloxypropanal is sourced from PubChem (CID 102088595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).