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

C14H21BrO3Si — CID 177307372

IUPAC5-bromo-4-methyl-2-(2-trimethylsilylethoxymethoxy)benzaldehyde
SMILESCc1cc(OCOCC[Si](C)(C)C)c(C=O)cc1Br
InChIInChI=1S/C14H21BrO3Si/c1-11-7-14(12(9-16)8-13(11)15)18-10-17-5-6-19(2,3)4/h7-9H,5-6,10H2,1-4H3
InChIKeyYCAQTRLFLCUDDJ-UHFFFAOYSA-N
MW345.31 g/mol
LogP4.26
Rot. Bonds7

About 5-bromo-4-methyl-2-(2-trimethylsilylethoxymethoxy)benzaldehyde

5-bromo-4-methyl-2-(2-trimethylsilylethoxymethoxy)benzaldehyde (PubChem CID 177307372) has the molecular formula C14H21BrO3Si and a molecular weight of 345.31 g/mol. Its IUPAC name is 5-bromo-4-methyl-2-(2-trimethylsilylethoxymethoxy)benzaldehyde.

Molecular Properties

Compound Name5-bromo-4-methyl-2-(2-trimethylsilylethoxymethoxy)benzaldehyde
PubChem CID177307372
Molecular FormulaC14H21BrO3Si
Molecular Weight345.31 g/mol
Exact Mass344.04
IUPAC Name5-bromo-4-methyl-2-(2-trimethylsilylethoxymethoxy)benzaldehyde
SMILESCc1cc(OCOCC[Si](C)(C)C)c(C=O)cc1Br
InChIInChI=1S/C14H21BrO3Si/c1-11-7-14(12(9-16)8-13(11)15)18-10-17-5-6-19(2,3)4/h7-9H,5-6,10H2,1-4H3
InChIKeyYCAQTRLFLCUDDJ-UHFFFAOYSA-N
XLogP4.26
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.31
LogP ≤ 54.26
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-(2-trimethylsilylethoxymethoxy)benzaldehyde
CID 166176313
2,4-dimethyl-6-(2-trimethylsilylethoxymethoxy)benzaldehyde
CID 158102826
3-methyl-4-(2-trimethylsilylethoxymethoxy)benzaldehyde
CID 86607089
2-[(4-bromo-2-methoxy-5-methylphenoxy)methoxy]ethyl-trimethylsilane;dichloromethane;2-ethoxyethyl(trimethyl)silane
CID 90858279
2-[(2-bromo-3,5-dimethylphenoxy)methoxy]ethyl-trimethylsilane
CID 158102825
3-[3-methyl-4-(2-trimethylsilylethoxymethoxy)phenyl]propanal
CID 87793860
trimethyl-[2-[(2-methyl-5-nitrophenoxy)methoxy]ethyl]silane
CID 173236661
3-ethoxy-4-(2-trimethylsilylethoxymethoxy)benzaldehyde
CID 166173195
5-bromo-1-methyl-3-(2-trimethylsilylethoxymethoxy)pyridin-2-one
CID 86675486
2-[(4-bromo-3-chloro-2-methylsulfanylphenoxy)methoxy]ethyl-trimethylsilane
CID 156738835
2-[[4-bromo-3-[(E)-2-(3-methoxy-4-nitrophenyl)ethenyl]-5-methylphenoxy]methoxy]ethyl-trimethylsilane
CID 174070177
methyl 8-bromo-4-(2-trimethylsilylethoxymethoxy)naphthalene-2-carboxylate
CID 21023517

Frequently Asked Questions

What is the IUPAC name of 5-bromo-4-methyl-2-(2-trimethylsilylethoxymethoxy)benzaldehyde?
The IUPAC name of 5-bromo-4-methyl-2-(2-trimethylsilylethoxymethoxy)benzaldehyde (CID 177307372) is 5-bromo-4-methyl-2-(2-trimethylsilylethoxymethoxy)benzaldehyde.
What is the SMILES notation for 5-bromo-4-methyl-2-(2-trimethylsilylethoxymethoxy)benzaldehyde?
The canonical SMILES for 5-bromo-4-methyl-2-(2-trimethylsilylethoxymethoxy)benzaldehyde is Cc1cc(OCOCC[Si](C)(C)C)c(C=O)cc1Br.
What is the InChIKey of 5-bromo-4-methyl-2-(2-trimethylsilylethoxymethoxy)benzaldehyde?
The InChIKey is YCAQTRLFLCUDDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21BrO3Si/c1-11-7-14(12(9-16)8-13(11)15)18-10-17-5-6-19(2,3)4/h7-9H,5-6,10H2,1-4H3.
What are the key properties of 5-bromo-4-methyl-2-(2-trimethylsilylethoxymethoxy)benzaldehyde?
5-bromo-4-methyl-2-(2-trimethylsilylethoxymethoxy)benzaldehyde has a molecular weight of 345.31 g/mol, XLogP of 4.26, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-4-methyl-2-(2-trimethylsilylethoxymethoxy)benzaldehyde is sourced from PubChem (CID 177307372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).