2-bromo-3-[tert-butyl(diphenyl)silyl]oxypropanal

C19H23BrO2Si — CID 101084153

IUPAC2-bromo-3-[tert-butyl(diphenyl)silyl]oxypropanal
SMILESCC(C)(C)[Si](OCC(Br)C=O)(c1ccccc1)c1ccccc1
InChIInChI=1S/C19H23BrO2Si/c1-19(2,3)23(22-15-16(20)14-21,17-10-6-4-7-11-17)18-12-8-5-9-13-18/h4-14,16H,15H2,1-3H3
InChIKeyUQSAVRKNWNWXOT-UHFFFAOYSA-N
MW391.38 g/mol
LogP3.53
Rot. Bonds6

About 2-bromo-3-[tert-butyl(diphenyl)silyl]oxypropanal

2-bromo-3-[tert-butyl(diphenyl)silyl]oxypropanal (PubChem CID 101084153) has the molecular formula C19H23BrO2Si and a molecular weight of 391.38 g/mol. Its IUPAC name is 2-bromo-3-[tert-butyl(diphenyl)silyl]oxypropanal.

Molecular Properties

Compound Name2-bromo-3-[tert-butyl(diphenyl)silyl]oxypropanal
PubChem CID101084153
Molecular FormulaC19H23BrO2Si
Molecular Weight391.38 g/mol
Exact Mass390.07
IUPAC Name2-bromo-3-[tert-butyl(diphenyl)silyl]oxypropanal
SMILESCC(C)(C)[Si](OCC(Br)C=O)(c1ccccc1)c1ccccc1
InChIInChI=1S/C19H23BrO2Si/c1-19(2,3)23(22-15-16(20)14-21,17-10-6-4-7-11-17)18-12-8-5-9-13-18/h4-14,16H,15H2,1-3H3
InChIKeyUQSAVRKNWNWXOT-UHFFFAOYSA-N
XLogP3.53
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.38
LogP ≤ 53.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Related Compounds

(2S)-3-[tert-butyl(diphenyl)silyl]oxy-2-hydroxypropanal
CID 11348036
(2R)-3-[tert-butyl(diphenyl)silyl]oxy-2-methoxypropanal
CID 11131691
(3R,4S)-4-bromo-3,5-bis[[tert-butyl(diphenyl)silyl]oxy]-2-fluoropentanal
CID 162159543
(2S,3R)-4-[tert-butyl(diphenyl)silyl]oxy-2-hydroxy-3-methylbutanal
CID 134973268
(2S)-3-[tert-butyl(diphenyl)silyl]oxy-2-phenylmethoxypropanal
CID 101456152
(2R,5R)-1,6-bis[[tert-butyl(diphenyl)silyl]oxy]hexane-2,5-diol
CID 10746539
(2S,4S)-5-[tert-butyl(diphenyl)silyl]oxy-2-ethenyl-4-methylpentanal
CID 11574459
(2S)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-3-phenylmethoxypropanal
CID 11201317
(2S,3R)-4-[tert-butyl(diphenyl)silyl]oxy-2,3-di(propan-2-yloxy)butanal
CID 101378992
tert-butyl-(3-iodo-2-methylpropoxy)-diphenylsilane
CID 14262200
(2R)-3-[tert-butyl(diphenyl)silyl]oxy-2-methylpropan-1-ol
CID 11771817
[(2R)-5-bromo-2-methylpentoxy]-tert-butyl-diphenylsilane
CID 15282997

Frequently Asked Questions

What is the IUPAC name of 2-bromo-3-[tert-butyl(diphenyl)silyl]oxypropanal?
The IUPAC name of 2-bromo-3-[tert-butyl(diphenyl)silyl]oxypropanal (CID 101084153) is 2-bromo-3-[tert-butyl(diphenyl)silyl]oxypropanal.
What is the SMILES notation for 2-bromo-3-[tert-butyl(diphenyl)silyl]oxypropanal?
The canonical SMILES for 2-bromo-3-[tert-butyl(diphenyl)silyl]oxypropanal is CC(C)(C)[Si](OCC(Br)C=O)(c1ccccc1)c1ccccc1.
What is the InChIKey of 2-bromo-3-[tert-butyl(diphenyl)silyl]oxypropanal?
The InChIKey is UQSAVRKNWNWXOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23BrO2Si/c1-19(2,3)23(22-15-16(20)14-21,17-10-6-4-7-11-17)18-12-8-5-9-13-18/h4-14,16H,15H2,1-3H3.
What are the key properties of 2-bromo-3-[tert-butyl(diphenyl)silyl]oxypropanal?
2-bromo-3-[tert-butyl(diphenyl)silyl]oxypropanal has a molecular weight of 391.38 g/mol, XLogP of 3.53, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-3-[tert-butyl(diphenyl)silyl]oxypropanal is sourced from PubChem (CID 101084153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).