2-(bromomethyl)-4-[tert-butyl(dimethyl)silyl]oxybenzoic acid

C14H21BrO3Si — CID 175152418

IUPAC2-(bromomethyl)-4-[tert-butyl(dimethyl)silyl]oxybenzoic acid
SMILESCC(C)(C)[Si](C)(C)Oc1ccc(C(=O)O)c(CBr)c1
InChIInChI=1S/C14H21BrO3Si/c1-14(2,3)19(4,5)18-11-6-7-12(13(16)17)10(8-11)9-15/h6-8H,9H2,1-5H3,(H,16,17)
InChIKeyZSRJVRLYFCGQQF-UHFFFAOYSA-N
MW345.31 g/mol
LogP4.66
Rot. Bonds4

About 2-(bromomethyl)-4-[tert-butyl(dimethyl)silyl]oxybenzoic acid

2-(bromomethyl)-4-[tert-butyl(dimethyl)silyl]oxybenzoic acid (PubChem CID 175152418) has the molecular formula C14H21BrO3Si and a molecular weight of 345.31 g/mol. Its IUPAC name is 2-(bromomethyl)-4-[tert-butyl(dimethyl)silyl]oxybenzoic acid.

Molecular Properties

Compound Name2-(bromomethyl)-4-[tert-butyl(dimethyl)silyl]oxybenzoic acid
PubChem CID175152418
Molecular FormulaC14H21BrO3Si
Molecular Weight345.31 g/mol
Exact Mass344.04
IUPAC Name2-(bromomethyl)-4-[tert-butyl(dimethyl)silyl]oxybenzoic acid
SMILESCC(C)(C)[Si](C)(C)Oc1ccc(C(=O)O)c(CBr)c1
InChIInChI=1S/C14H21BrO3Si/c1-14(2,3)19(4,5)18-11-6-7-12(13(16)17)10(8-11)9-15/h6-8H,9H2,1-5H3,(H,16,17)
InChIKeyZSRJVRLYFCGQQF-UHFFFAOYSA-N
XLogP4.66
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.31
LogP ≤ 54.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(bromomethyl)-4-[tert-butyl(dimethyl)silyl]oxybenzoic acid?
The IUPAC name of 2-(bromomethyl)-4-[tert-butyl(dimethyl)silyl]oxybenzoic acid (CID 175152418) is 2-(bromomethyl)-4-[tert-butyl(dimethyl)silyl]oxybenzoic acid.
What is the SMILES notation for 2-(bromomethyl)-4-[tert-butyl(dimethyl)silyl]oxybenzoic acid?
The canonical SMILES for 2-(bromomethyl)-4-[tert-butyl(dimethyl)silyl]oxybenzoic acid is CC(C)(C)[Si](C)(C)Oc1ccc(C(=O)O)c(CBr)c1.
What is the InChIKey of 2-(bromomethyl)-4-[tert-butyl(dimethyl)silyl]oxybenzoic acid?
The InChIKey is ZSRJVRLYFCGQQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21BrO3Si/c1-14(2,3)19(4,5)18-11-6-7-12(13(16)17)10(8-11)9-15/h6-8H,9H2,1-5H3,(H,16,17).
What are the key properties of 2-(bromomethyl)-4-[tert-butyl(dimethyl)silyl]oxybenzoic acid?
2-(bromomethyl)-4-[tert-butyl(dimethyl)silyl]oxybenzoic acid has a molecular weight of 345.31 g/mol, XLogP of 4.66, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(bromomethyl)-4-[tert-butyl(dimethyl)silyl]oxybenzoic acid is sourced from PubChem (CID 175152418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).