(2S,3S)-3-(4-bromophenyl)-2-methyl-3-triethylsilyloxypropanal

C16H25BrO2Si — CID 135019858

IUPAC(2S,3S)-3-(4-bromophenyl)-2-methyl-3-triethylsilyloxypropanal
SMILESCC[Si](CC)(CC)O[C@H](c1ccc(Br)cc1)C(C)C=O
InChIInChI=1S/C16H25BrO2Si/c1-5-20(6-2,7-3)19-16(13(4)12-18)14-8-10-15(17)11-9-14/h8-13,16H,5-7H2,1-4H3/t13?,16-/m0/s1
InChIKeyFXQCBRPVURXCSM-VYIIXAMBSA-N
MW357.36 g/mol
LogP5.35
Rot. Bonds8

About (2S,3S)-3-(4-bromophenyl)-2-methyl-3-triethylsilyloxypropanal

(2S,3S)-3-(4-bromophenyl)-2-methyl-3-triethylsilyloxypropanal (PubChem CID 135019858) has the molecular formula C16H25BrO2Si and a molecular weight of 357.36 g/mol. Its IUPAC name is (2S,3S)-3-(4-bromophenyl)-2-methyl-3-triethylsilyloxypropanal.

Molecular Properties

Compound Name(2S,3S)-3-(4-bromophenyl)-2-methyl-3-triethylsilyloxypropanal
PubChem CID135019858
Molecular FormulaC16H25BrO2Si
Molecular Weight357.36 g/mol
Exact Mass356.08
IUPAC Name(2S,3S)-3-(4-bromophenyl)-2-methyl-3-triethylsilyloxypropanal
SMILESCC[Si](CC)(CC)O[C@H](c1ccc(Br)cc1)C(C)C=O
InChIInChI=1S/C16H25BrO2Si/c1-5-20(6-2,7-3)19-16(13(4)12-18)14-8-10-15(17)11-9-14/h8-13,16H,5-7H2,1-4H3/t13?,16-/m0/s1
InChIKeyFXQCBRPVURXCSM-VYIIXAMBSA-N
XLogP5.35
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500357.36
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'}

Analyze (2S,3S)-3-(4-bromophenyl)-2-methyl-3-triethylsilyloxypropanal with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

CID 177448300
CID 177448300
(2S,3R)-2-methyl-5-phenyl-3-triethylsilyloxypentanal
CID 10590802
(2R)-2-(4-bromophenyl)propanal
CID 39243198
(2R,3S)-2,4-dimethyl-3-triethylsilyloxypentanal
CID 15440865
1-bromo-4-[(1R)-1-ethoxy-2-methylpropyl]benzene
CID 124500582
2-(4-bromophenyl)propanal;ethane-1,2-diol
CID 175448284
ethyl (2S,3S,4R,5S)-3-hydroxy-2,4-dimethyl-5-phenyl-5-triethylsilyloxypentanoate
CID 132570563
N-[1-(4-bromophenyl)propyl]formamide
CID 64990442
(3R)-5-phenyl-3-triethylsilyloxypentanal
CID 87401786
[(1S,2S)-1,2-bis(4-bromophenyl)-2-[methyl(diphenyl)silyl]oxyethoxy]-methyl-diphenylsilane
CID 102172487
(2S)-1-phenyl-2-[(S)-phenyl(triethylsilyloxy)methyl]butan-1-one
CID 101269774
1-bromo-4-[(1S)-1-methoxyethyl]benzene
CID 51534481

Frequently Asked Questions

What is the IUPAC name of (2S,3S)-3-(4-bromophenyl)-2-methyl-3-triethylsilyloxypropanal?
The IUPAC name of (2S,3S)-3-(4-bromophenyl)-2-methyl-3-triethylsilyloxypropanal (CID 135019858) is (2S,3S)-3-(4-bromophenyl)-2-methyl-3-triethylsilyloxypropanal.
What is the SMILES notation for (2S,3S)-3-(4-bromophenyl)-2-methyl-3-triethylsilyloxypropanal?
The canonical SMILES for (2S,3S)-3-(4-bromophenyl)-2-methyl-3-triethylsilyloxypropanal is CC[Si](CC)(CC)O[C@H](c1ccc(Br)cc1)C(C)C=O.
What is the InChIKey of (2S,3S)-3-(4-bromophenyl)-2-methyl-3-triethylsilyloxypropanal?
The InChIKey is FXQCBRPVURXCSM-VYIIXAMBSA-N. The full InChI is InChI=1S/C16H25BrO2Si/c1-5-20(6-2,7-3)19-16(13(4)12-18)14-8-10-15(17)11-9-14/h8-13,16H,5-7H2,1-4H3/t13?,16-/m0/s1.
What are the key properties of (2S,3S)-3-(4-bromophenyl)-2-methyl-3-triethylsilyloxypropanal?
(2S,3S)-3-(4-bromophenyl)-2-methyl-3-triethylsilyloxypropanal has a molecular weight of 357.36 g/mol, XLogP of 5.35, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3S)-3-(4-bromophenyl)-2-methyl-3-triethylsilyloxypropanal is sourced from PubChem (CID 135019858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).