methyl 3-(4-bromophenyl)-2,2-dimethyl-3-trimethylsilyloxypropanoate

C15H23BrO3Si — CID 134930806

IUPACmethyl 3-(4-bromophenyl)-2,2-dimethyl-3-trimethylsilyloxypropanoate
SMILESCOC(=O)C(C)(C)C(O[Si](C)(C)C)c1ccc(Br)cc1
InChIInChI=1S/C15H23BrO3Si/c1-15(2,14(17)18-3)13(19-20(4,5)6)11-7-9-12(16)10-8-11/h7-10,13H,1-6H3
InChIKeyDCQXQTLFMPNDAX-UHFFFAOYSA-N
MW359.34 g/mol
LogP4.54
Rot. Bonds5

About methyl 3-(4-bromophenyl)-2,2-dimethyl-3-trimethylsilyloxypropanoate

methyl 3-(4-bromophenyl)-2,2-dimethyl-3-trimethylsilyloxypropanoate (PubChem CID 134930806) has the molecular formula C15H23BrO3Si and a molecular weight of 359.34 g/mol. Its IUPAC name is methyl 3-(4-bromophenyl)-2,2-dimethyl-3-trimethylsilyloxypropanoate.

Molecular Properties

Compound Namemethyl 3-(4-bromophenyl)-2,2-dimethyl-3-trimethylsilyloxypropanoate
PubChem CID134930806
Molecular FormulaC15H23BrO3Si
Molecular Weight359.34 g/mol
Exact Mass358.06
IUPAC Namemethyl 3-(4-bromophenyl)-2,2-dimethyl-3-trimethylsilyloxypropanoate
SMILESCOC(=O)C(C)(C)C(O[Si](C)(C)C)c1ccc(Br)cc1
InChIInChI=1S/C15H23BrO3Si/c1-15(2,14(17)18-3)13(19-20(4,5)6)11-7-9-12(16)10-8-11/h7-10,13H,1-6H3
InChIKeyDCQXQTLFMPNDAX-UHFFFAOYSA-N
XLogP4.54
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.34
LogP ≤ 54.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze methyl 3-(4-bromophenyl)-2,2-dimethyl-3-trimethylsilyloxypropanoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

methyl 3-(4-methoxyphenyl)-2,2-dimethyl-3-trimethylsilyloxypropanoate
CID 11066876
2,2-dimethyl-1,3-diphenyl-3-trimethylsilyloxypropan-1-one
CID 122206427
methyl 4-amino-2-[(1R)-1-(4-bromophenyl)ethyl]-2-methyl-4-oxobutanoate
CID 126577006
methyl 2-[2-(4-bromophenyl)propanoylamino]-2,3-dimethylbutanoate
CID 15457270
methyl 3-(hydroxyamino)-2,2,4,4-tetramethylpentanoate
CID 16658549
methyl (3R)-3-amino-3-(5-bromo-3-pyridinyl)-2,2-dimethylpropanoate
CID 171239044
methyl 2-(4-bromophenyl)-3-hydroxy-2-methylpropanoate
CID 15881479
3-(4-bromophenyl)-3-hydroxy-2,2-dimethyl-1-phenylpropan-1-one
CID 3059018
[1-(4-bromophenyl)-2,2,2-trichloroethyl] acetate
CID 2795274
methyl (3S)-3-amino-3-(5-bromo-2-hydroxyphenyl)-2,2-dimethylpropanoate;hydrochloride
CID 171245747
dimethyl (2R,3S)-3-(4-bromophenyl)-2-hydroxy-2-(2-oxopropyl)butanedioate
CID 102075378
methyl (3S)-3-amino-3-(4-bromo-3-fluorophenyl)-2,2-dimethylpropanoate
CID 171246949

Frequently Asked Questions

What is the IUPAC name of methyl 3-(4-bromophenyl)-2,2-dimethyl-3-trimethylsilyloxypropanoate?
The IUPAC name of methyl 3-(4-bromophenyl)-2,2-dimethyl-3-trimethylsilyloxypropanoate (CID 134930806) is methyl 3-(4-bromophenyl)-2,2-dimethyl-3-trimethylsilyloxypropanoate.
What is the SMILES notation for methyl 3-(4-bromophenyl)-2,2-dimethyl-3-trimethylsilyloxypropanoate?
The canonical SMILES for methyl 3-(4-bromophenyl)-2,2-dimethyl-3-trimethylsilyloxypropanoate is COC(=O)C(C)(C)C(O[Si](C)(C)C)c1ccc(Br)cc1.
What is the InChIKey of methyl 3-(4-bromophenyl)-2,2-dimethyl-3-trimethylsilyloxypropanoate?
The InChIKey is DCQXQTLFMPNDAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23BrO3Si/c1-15(2,14(17)18-3)13(19-20(4,5)6)11-7-9-12(16)10-8-11/h7-10,13H,1-6H3.
What are the key properties of methyl 3-(4-bromophenyl)-2,2-dimethyl-3-trimethylsilyloxypropanoate?
methyl 3-(4-bromophenyl)-2,2-dimethyl-3-trimethylsilyloxypropanoate has a molecular weight of 359.34 g/mol, XLogP of 4.54, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-(4-bromophenyl)-2,2-dimethyl-3-trimethylsilyloxypropanoate is sourced from PubChem (CID 134930806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).