2-bromo-4-(2-trimethylsilylethoxymethoxy)benzaldehyde

C13H19BrO3Si — CID 166176313

IUPAC2-bromo-4-(2-trimethylsilylethoxymethoxy)benzaldehyde
SMILESC[Si](C)(C)CCOCOc1ccc(C=O)c(Br)c1
InChIInChI=1S/C13H19BrO3Si/c1-18(2,3)7-6-16-10-17-12-5-4-11(9-15)13(14)8-12/h4-5,8-9H,6-7,10H2,1-3H3
InChIKeyVNUUPZKZDJMEGE-UHFFFAOYSA-N
MW331.28 g/mol
LogP3.95
Rot. Bonds7

About 2-bromo-4-(2-trimethylsilylethoxymethoxy)benzaldehyde

2-bromo-4-(2-trimethylsilylethoxymethoxy)benzaldehyde (PubChem CID 166176313) has the molecular formula C13H19BrO3Si and a molecular weight of 331.28 g/mol. Its IUPAC name is 2-bromo-4-(2-trimethylsilylethoxymethoxy)benzaldehyde.

Molecular Properties

Compound Name2-bromo-4-(2-trimethylsilylethoxymethoxy)benzaldehyde
PubChem CID166176313
Molecular FormulaC13H19BrO3Si
Molecular Weight331.28 g/mol
Exact Mass330.03
IUPAC Name2-bromo-4-(2-trimethylsilylethoxymethoxy)benzaldehyde
SMILESC[Si](C)(C)CCOCOc1ccc(C=O)c(Br)c1
InChIInChI=1S/C13H19BrO3Si/c1-18(2,3)7-6-16-10-17-12-5-4-11(9-15)13(14)8-12/h4-5,8-9H,6-7,10H2,1-3H3
InChIKeyVNUUPZKZDJMEGE-UHFFFAOYSA-N
XLogP3.95
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.28
LogP ≤ 53.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

2-bromo-4-(methoxymethoxy)benzaldehyde
CID 24829119
5-bromo-4-methyl-2-(2-trimethylsilylethoxymethoxy)benzaldehyde
CID 177307372
2-bromo-4-phenylmethoxybenzaldehyde
CID 11173819
3-methyl-4-(2-trimethylsilylethoxymethoxy)benzaldehyde
CID 86607089
2-bromo-4-propan-2-yloxybenzaldehyde
CID 104573949
3-ethoxy-4-(2-trimethylsilylethoxymethoxy)benzaldehyde
CID 166173195
2,4-dimethyl-6-(2-trimethylsilylethoxymethoxy)benzaldehyde
CID 158102826
2-[[3-(chloromethyl)phenoxy]methoxy]ethyl-trimethylsilane
CID 22127918
4-bromo-3-(2-hydroxyethoxy)phenol;2-[2-bromo-5-(2-trimethylsilylethoxymethoxy)phenoxy]ethanol;2-(chloromethoxy)ethyl-trimethylsilane
CID 158011063
2-bromo-4-(2-phenylmethoxypropoxy)benzaldehyde
CID 87530220
2-[2-(2-bromophenoxy)ethoxymethoxy]ethyl-trimethylsilane
CID 171066438
2-[(2-bromo-3,5-dimethylphenoxy)methoxy]ethyl-trimethylsilane
CID 158102825

Frequently Asked Questions

What is the IUPAC name of 2-bromo-4-(2-trimethylsilylethoxymethoxy)benzaldehyde?
The IUPAC name of 2-bromo-4-(2-trimethylsilylethoxymethoxy)benzaldehyde (CID 166176313) is 2-bromo-4-(2-trimethylsilylethoxymethoxy)benzaldehyde.
What is the SMILES notation for 2-bromo-4-(2-trimethylsilylethoxymethoxy)benzaldehyde?
The canonical SMILES for 2-bromo-4-(2-trimethylsilylethoxymethoxy)benzaldehyde is C[Si](C)(C)CCOCOc1ccc(C=O)c(Br)c1.
What is the InChIKey of 2-bromo-4-(2-trimethylsilylethoxymethoxy)benzaldehyde?
The InChIKey is VNUUPZKZDJMEGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19BrO3Si/c1-18(2,3)7-6-16-10-17-12-5-4-11(9-15)13(14)8-12/h4-5,8-9H,6-7,10H2,1-3H3.
What are the key properties of 2-bromo-4-(2-trimethylsilylethoxymethoxy)benzaldehyde?
2-bromo-4-(2-trimethylsilylethoxymethoxy)benzaldehyde has a molecular weight of 331.28 g/mol, XLogP of 3.95, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-4-(2-trimethylsilylethoxymethoxy)benzaldehyde is sourced from PubChem (CID 166176313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).