3-bromo-4-[tert-butyl(dimethyl)silyl]oxybenzaldehyde

C13H19BrO2Si — CID 59470533

IUPAC3-bromo-4-[tert-butyl(dimethyl)silyl]oxybenzaldehyde
SMILESCC(C)(C)[Si](C)(C)Oc1ccc(C=O)cc1Br
InChIInChI=1S/C13H19BrO2Si/c1-13(2,3)17(4,5)16-12-7-6-10(9-15)8-11(12)14/h6-9H,1-5H3
InChIKeyLBSTYZUVJAOGCQ-UHFFFAOYSA-N
MW315.28 g/mol
LogP4.65
Rot. Bonds3

About 3-bromo-4-[tert-butyl(dimethyl)silyl]oxybenzaldehyde

3-bromo-4-[tert-butyl(dimethyl)silyl]oxybenzaldehyde (PubChem CID 59470533) has the molecular formula C13H19BrO2Si and a molecular weight of 315.28 g/mol. Its IUPAC name is 3-bromo-4-[tert-butyl(dimethyl)silyl]oxybenzaldehyde.

Molecular Properties

Compound Name3-bromo-4-[tert-butyl(dimethyl)silyl]oxybenzaldehyde
PubChem CID59470533
Molecular FormulaC13H19BrO2Si
Molecular Weight315.28 g/mol
Exact Mass314.03
IUPAC Name3-bromo-4-[tert-butyl(dimethyl)silyl]oxybenzaldehyde
SMILESCC(C)(C)[Si](C)(C)Oc1ccc(C=O)cc1Br
InChIInChI=1S/C13H19BrO2Si/c1-13(2,3)17(4,5)16-12-7-6-10(9-15)8-11(12)14/h6-9H,1-5H3
InChIKeyLBSTYZUVJAOGCQ-UHFFFAOYSA-N
XLogP4.65
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.28
LogP ≤ 54.65
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

4-bromo-3-[tert-butyl(dimethyl)silyl]oxybenzaldehyde
CID 167732213
3-[tert-butyl(dimethyl)silyl]oxy-4-methylbenzaldehyde
CID 87059060
3-[tert-butyl(dimethyl)silyl]oxy-4-chlorobenzaldehyde
CID 86598025
4-[tert-butyl(dimethyl)silyl]oxy-3-cyclopentylbenzaldehyde
CID 18352505
3,4-bis[[tert-butyl(dimethyl)silyl]oxy]benzaldehyde;piperidine
CID 87197183
4-[4-[tert-butyl(dimethyl)silyl]oxy-3-chlorophenyl]benzaldehyde
CID 42643383
3-bromo-4-[tert-butyl(dimethyl)silyl]oxyphenol
CID 58833573
1-[3-bromo-4-[tert-butyl(dimethyl)silyl]oxyphenyl]ethanone
CID 167714781
3-bromo-4-propan-2-yloxybenzaldehyde
CID 3832843
3-bromo-4-(difluoromethoxy)benzaldehyde;ethane
CID 177032368
6-bromo-2-[tert-butyl(dimethyl)silyl]oxy-3-methoxybenzaldehyde
CID 167722100
tert-butyl-dimethyl-[4,5,8-tris[[tert-butyl(dimethyl)silyl]oxy]naphthalen-1-yl]oxysilane
CID 10604266

Frequently Asked Questions

What is the IUPAC name of 3-bromo-4-[tert-butyl(dimethyl)silyl]oxybenzaldehyde?
The IUPAC name of 3-bromo-4-[tert-butyl(dimethyl)silyl]oxybenzaldehyde (CID 59470533) is 3-bromo-4-[tert-butyl(dimethyl)silyl]oxybenzaldehyde.
What is the SMILES notation for 3-bromo-4-[tert-butyl(dimethyl)silyl]oxybenzaldehyde?
The canonical SMILES for 3-bromo-4-[tert-butyl(dimethyl)silyl]oxybenzaldehyde is CC(C)(C)[Si](C)(C)Oc1ccc(C=O)cc1Br.
What is the InChIKey of 3-bromo-4-[tert-butyl(dimethyl)silyl]oxybenzaldehyde?
The InChIKey is LBSTYZUVJAOGCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19BrO2Si/c1-13(2,3)17(4,5)16-12-7-6-10(9-15)8-11(12)14/h6-9H,1-5H3.
What are the key properties of 3-bromo-4-[tert-butyl(dimethyl)silyl]oxybenzaldehyde?
3-bromo-4-[tert-butyl(dimethyl)silyl]oxybenzaldehyde has a molecular weight of 315.28 g/mol, XLogP of 4.65, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-4-[tert-butyl(dimethyl)silyl]oxybenzaldehyde is sourced from PubChem (CID 59470533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).