2-bromo-4-[[tert-butyl(dimethyl)silyl]oxymethyl]benzaldehyde

C14H21BrO2Si — CID 171089629

IUPAC2-bromo-4-[[tert-butyl(dimethyl)silyl]oxymethyl]benzaldehyde
SMILESCC(C)(C)[Si](C)(C)OCc1ccc(C=O)c(Br)c1
InChIInChI=1S/C14H21BrO2Si/c1-14(2,3)18(4,5)17-10-11-6-7-12(9-16)13(15)8-11/h6-9H,10H2,1-5H3
InChIKeyDUCFYKVAIUYUIM-UHFFFAOYSA-N
MW329.31 g/mol
LogP4.78
Rot. Bonds4

About 2-bromo-4-[[tert-butyl(dimethyl)silyl]oxymethyl]benzaldehyde

2-bromo-4-[[tert-butyl(dimethyl)silyl]oxymethyl]benzaldehyde (PubChem CID 171089629) has the molecular formula C14H21BrO2Si and a molecular weight of 329.31 g/mol. Its IUPAC name is 2-bromo-4-[[tert-butyl(dimethyl)silyl]oxymethyl]benzaldehyde.

Molecular Properties

Compound Name2-bromo-4-[[tert-butyl(dimethyl)silyl]oxymethyl]benzaldehyde
PubChem CID171089629
Molecular FormulaC14H21BrO2Si
Molecular Weight329.31 g/mol
Exact Mass328.05
IUPAC Name2-bromo-4-[[tert-butyl(dimethyl)silyl]oxymethyl]benzaldehyde
SMILESCC(C)(C)[Si](C)(C)OCc1ccc(C=O)c(Br)c1
InChIInChI=1S/C14H21BrO2Si/c1-14(2,3)18(4,5)17-10-11-6-7-12(9-16)13(15)8-11/h6-9H,10H2,1-5H3
InChIKeyDUCFYKVAIUYUIM-UHFFFAOYSA-N
XLogP4.78
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.31
LogP ≤ 54.78
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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Frequently Asked Questions

What is the IUPAC name of 2-bromo-4-[[tert-butyl(dimethyl)silyl]oxymethyl]benzaldehyde?
The IUPAC name of 2-bromo-4-[[tert-butyl(dimethyl)silyl]oxymethyl]benzaldehyde (CID 171089629) is 2-bromo-4-[[tert-butyl(dimethyl)silyl]oxymethyl]benzaldehyde.
What is the SMILES notation for 2-bromo-4-[[tert-butyl(dimethyl)silyl]oxymethyl]benzaldehyde?
The canonical SMILES for 2-bromo-4-[[tert-butyl(dimethyl)silyl]oxymethyl]benzaldehyde is CC(C)(C)[Si](C)(C)OCc1ccc(C=O)c(Br)c1.
What is the InChIKey of 2-bromo-4-[[tert-butyl(dimethyl)silyl]oxymethyl]benzaldehyde?
The InChIKey is DUCFYKVAIUYUIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21BrO2Si/c1-14(2,3)18(4,5)17-10-11-6-7-12(9-16)13(15)8-11/h6-9H,10H2,1-5H3.
What are the key properties of 2-bromo-4-[[tert-butyl(dimethyl)silyl]oxymethyl]benzaldehyde?
2-bromo-4-[[tert-butyl(dimethyl)silyl]oxymethyl]benzaldehyde has a molecular weight of 329.31 g/mol, XLogP of 4.78, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-4-[[tert-butyl(dimethyl)silyl]oxymethyl]benzaldehyde is sourced from PubChem (CID 171089629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).