6-bromo-2-[tert-butyl(dimethyl)silyl]oxy-3-methoxybenzaldehyde

C14H21BrO3Si — CID 167722100

IUPAC6-bromo-2-[tert-butyl(dimethyl)silyl]oxy-3-methoxybenzaldehyde
SMILESCOc1ccc(Br)c(C=O)c1O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C14H21BrO3Si/c1-14(2,3)19(5,6)18-13-10(9-16)11(15)7-8-12(13)17-4/h7-9H,1-6H3
InChIKeyLIUMBBHNIDJFDG-UHFFFAOYSA-N
MW345.31 g/mol
LogP4.65
Rot. Bonds4

About 6-bromo-2-[tert-butyl(dimethyl)silyl]oxy-3-methoxybenzaldehyde

6-bromo-2-[tert-butyl(dimethyl)silyl]oxy-3-methoxybenzaldehyde (PubChem CID 167722100) has the molecular formula C14H21BrO3Si and a molecular weight of 345.31 g/mol. Its IUPAC name is 6-bromo-2-[tert-butyl(dimethyl)silyl]oxy-3-methoxybenzaldehyde.

Molecular Properties

Compound Name6-bromo-2-[tert-butyl(dimethyl)silyl]oxy-3-methoxybenzaldehyde
PubChem CID167722100
Molecular FormulaC14H21BrO3Si
Molecular Weight345.31 g/mol
Exact Mass344.04
IUPAC Name6-bromo-2-[tert-butyl(dimethyl)silyl]oxy-3-methoxybenzaldehyde
SMILESCOc1ccc(Br)c(C=O)c1O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C14H21BrO3Si/c1-14(2,3)19(5,6)18-13-10(9-16)11(15)7-8-12(13)17-4/h7-9H,1-6H3
InChIKeyLIUMBBHNIDJFDG-UHFFFAOYSA-N
XLogP4.65
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.31
LogP ≤ 54.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-bromo-2-[tert-butyl(dimethyl)silyl]oxy-6-methylbenzaldehyde
CID 167731074
3-[tert-butyl(dimethyl)silyl]oxy-2-hydroxy-4-methoxybenzaldehyde
CID 11701906
(3-bromo-2-formyl-6-methoxyphenyl) acetate
CID 10192904
6-bromo-3-methoxy-2-propoxybenzaldehyde
CID 66529298
6-bromo-2-[(E)-1,2-dichloroethenoxy]-3-methoxybenzaldehyde
CID 25194733
1,4-bis[[tert-butyl(dimethyl)silyl]oxy]-5,8-dimethoxynaphthalene-2-carbaldehyde
CID 11352018
3-bromo-4-[tert-butyl(dimethyl)silyl]oxybenzaldehyde
CID 59470533
4-bromo-3-[tert-butyl(dimethyl)silyl]oxybenzaldehyde
CID 167732213
4-bromo-2-methoxybenzene-1,3-dicarbaldehyde
CID 171003528
(4-bromo-2,6-dimethoxyphenoxy)-tert-butyl-dimethylsilane
CID 11089314
6-bromo-2-[(2-chlorophenyl)methoxy]-3-methoxybenzaldehyde
CID 66528864
(5-bromo-2-methoxyphenoxy)-tert-butyl-dimethylsilane
CID 10980049

Frequently Asked Questions

What is the IUPAC name of 6-bromo-2-[tert-butyl(dimethyl)silyl]oxy-3-methoxybenzaldehyde?
The IUPAC name of 6-bromo-2-[tert-butyl(dimethyl)silyl]oxy-3-methoxybenzaldehyde (CID 167722100) is 6-bromo-2-[tert-butyl(dimethyl)silyl]oxy-3-methoxybenzaldehyde.
What is the SMILES notation for 6-bromo-2-[tert-butyl(dimethyl)silyl]oxy-3-methoxybenzaldehyde?
The canonical SMILES for 6-bromo-2-[tert-butyl(dimethyl)silyl]oxy-3-methoxybenzaldehyde is COc1ccc(Br)c(C=O)c1O[Si](C)(C)C(C)(C)C.
What is the InChIKey of 6-bromo-2-[tert-butyl(dimethyl)silyl]oxy-3-methoxybenzaldehyde?
The InChIKey is LIUMBBHNIDJFDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21BrO3Si/c1-14(2,3)19(5,6)18-13-10(9-16)11(15)7-8-12(13)17-4/h7-9H,1-6H3.
What are the key properties of 6-bromo-2-[tert-butyl(dimethyl)silyl]oxy-3-methoxybenzaldehyde?
6-bromo-2-[tert-butyl(dimethyl)silyl]oxy-3-methoxybenzaldehyde has a molecular weight of 345.31 g/mol, XLogP of 4.65, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-2-[tert-butyl(dimethyl)silyl]oxy-3-methoxybenzaldehyde is sourced from PubChem (CID 167722100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).