methyl 4-bromo-2-[tert-butyl(dimethyl)silyl]oxybenzoate

C14H21BrO3Si — CID 167729068

IUPACmethyl 4-bromo-2-[tert-butyl(dimethyl)silyl]oxybenzoate
SMILESCOC(=O)c1ccc(Br)cc1O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C14H21BrO3Si/c1-14(2,3)19(5,6)18-12-9-10(15)7-8-11(12)13(16)17-4/h7-9H,1-6H3
InChIKeyKQULEPQCVJRXMK-UHFFFAOYSA-N
MW345.31 g/mol
LogP4.62
Rot. Bonds3

About methyl 4-bromo-2-[tert-butyl(dimethyl)silyl]oxybenzoate

methyl 4-bromo-2-[tert-butyl(dimethyl)silyl]oxybenzoate (PubChem CID 167729068) has the molecular formula C14H21BrO3Si and a molecular weight of 345.31 g/mol. Its IUPAC name is methyl 4-bromo-2-[tert-butyl(dimethyl)silyl]oxybenzoate.

Molecular Properties

Compound Namemethyl 4-bromo-2-[tert-butyl(dimethyl)silyl]oxybenzoate
PubChem CID167729068
Molecular FormulaC14H21BrO3Si
Molecular Weight345.31 g/mol
Exact Mass344.04
IUPAC Namemethyl 4-bromo-2-[tert-butyl(dimethyl)silyl]oxybenzoate
SMILESCOC(=O)c1ccc(Br)cc1O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C14H21BrO3Si/c1-14(2,3)19(5,6)18-12-9-10(15)7-8-11(12)13(16)17-4/h7-9H,1-6H3
InChIKeyKQULEPQCVJRXMK-UHFFFAOYSA-N
XLogP4.62
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.31
LogP ≤ 54.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

methyl 2-[tert-butyl(dimethyl)silyl]oxy-4-methoxybenzoate
CID 91737509
methyl 2-[tert-butyl(dimethyl)silyl]oxy-4-iodobenzoate
CID 167730897
methyl 5-bromo-2-[tert-butyl(dimethyl)silyl]oxy-3-iodobenzoate
CID 167727351
(5-bromo-2-methoxyphenoxy)-tert-butyl-dimethylsilane
CID 10980049
methyl 4-bromo-2-ethenoxybenzoate
CID 135381779
methyl 5-[tert-butyl(dimethyl)silyl]oxy-2-methoxybenzoate
CID 18464864
dimethyl 4-[tert-butyl(dimethyl)silyl]oxy-1-benzofuran-6,7-dicarboxylate
CID 10618775
methyl 3-[tert-butyl(dimethyl)silyl]oxythiophene-2-carboxylate
CID 19432955
methyl 4-amino-3-[tert-butyl(dimethyl)silyl]oxy-2-methylbenzoate
CID 167729628
4-amino-6-[tert-butyl(dimethyl)silyl]oxybenzene-1,3-dicarboxylic acid
CID 167716868
2-[tert-butyl(dimethyl)silyl]oxy-4-iodobenzoic acid
CID 167731636
1-[2-[tert-butyl(dimethyl)silyl]oxy-4-chlorophenyl]ethanone
CID 167735081

Frequently Asked Questions

What is the IUPAC name of methyl 4-bromo-2-[tert-butyl(dimethyl)silyl]oxybenzoate?
The IUPAC name of methyl 4-bromo-2-[tert-butyl(dimethyl)silyl]oxybenzoate (CID 167729068) is methyl 4-bromo-2-[tert-butyl(dimethyl)silyl]oxybenzoate.
What is the SMILES notation for methyl 4-bromo-2-[tert-butyl(dimethyl)silyl]oxybenzoate?
The canonical SMILES for methyl 4-bromo-2-[tert-butyl(dimethyl)silyl]oxybenzoate is COC(=O)c1ccc(Br)cc1O[Si](C)(C)C(C)(C)C.
What is the InChIKey of methyl 4-bromo-2-[tert-butyl(dimethyl)silyl]oxybenzoate?
The InChIKey is KQULEPQCVJRXMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21BrO3Si/c1-14(2,3)19(5,6)18-12-9-10(15)7-8-11(12)13(16)17-4/h7-9H,1-6H3.
What are the key properties of methyl 4-bromo-2-[tert-butyl(dimethyl)silyl]oxybenzoate?
methyl 4-bromo-2-[tert-butyl(dimethyl)silyl]oxybenzoate has a molecular weight of 345.31 g/mol, XLogP of 4.62, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-bromo-2-[tert-butyl(dimethyl)silyl]oxybenzoate is sourced from PubChem (CID 167729068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).