ethyl (2S,3R)-2-bromo-2,4-dimethyl-3-trimethylsilyloxypentanoate

C12H25BrO3Si — CID 101120407

IUPACethyl (2S,3R)-2-bromo-2,4-dimethyl-3-trimethylsilyloxypentanoate
SMILESCCOC(=O)[C@@](C)(Br)[C@H](O[Si](C)(C)C)C(C)C
InChIInChI=1S/C12H25BrO3Si/c1-8-15-11(14)12(4,13)10(9(2)3)16-17(5,6)7/h9-10H,8H2,1-7H3/t10-,12+/m1/s1
InChIKeyYEGMMNITVSFHQB-PWSUYJOCSA-N
MW325.32 g/mol
LogP3.58
Rot. Bonds6

About ethyl (2S,3R)-2-bromo-2,4-dimethyl-3-trimethylsilyloxypentanoate

ethyl (2S,3R)-2-bromo-2,4-dimethyl-3-trimethylsilyloxypentanoate (PubChem CID 101120407) has the molecular formula C12H25BrO3Si and a molecular weight of 325.32 g/mol. Its IUPAC name is ethyl (2S,3R)-2-bromo-2,4-dimethyl-3-trimethylsilyloxypentanoate.

Molecular Properties

Compound Nameethyl (2S,3R)-2-bromo-2,4-dimethyl-3-trimethylsilyloxypentanoate
PubChem CID101120407
Molecular FormulaC12H25BrO3Si
Molecular Weight325.32 g/mol
Exact Mass324.08
IUPAC Nameethyl (2S,3R)-2-bromo-2,4-dimethyl-3-trimethylsilyloxypentanoate
SMILESCCOC(=O)[C@@](C)(Br)[C@H](O[Si](C)(C)C)C(C)C
InChIInChI=1S/C12H25BrO3Si/c1-8-15-11(14)12(4,13)10(9(2)3)16-17(5,6)7/h9-10H,8H2,1-7H3/t10-,12+/m1/s1
InChIKeyYEGMMNITVSFHQB-PWSUYJOCSA-N
XLogP3.58
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.32
LogP ≤ 53.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze ethyl (2S,3R)-2-bromo-2,4-dimethyl-3-trimethylsilyloxypentanoate 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

ethyl 2,3-dibromo-3-hydroxy-2-methylpropanoate
CID 175032866
ethane;ethyl 2-bromo-2-methylpropanoate
CID 142239978
ethyl (3R)-5-hydroxy-2,2-dimethyl-3-trimethylsilyloxypentanoate
CID 101484310
ethyl (2S,3R)-2-bromo-5-[tert-butyl(dimethyl)silyl]oxy-3-hydroxy-2-methylpentanoate
CID 11210874
diethyl 2,3-dimethyl-2,3-bis(trimethylsilyloxy)butanedioate
CID 139989242
ethyl (3R)-3-hydroxy-2,2,4-trimethylpentanoate
CID 3246222
3-O-tert-butyl 1-O-ethyl 2-bromo-2-methylpropanedioate
CID 21329498
ethyl (2S,3R)-2-bromo-2-fluoro-3-hydroxy-4,4-dimethylpentanoate
CID 101158385
ethyl 3,3,3-tribromo-2-hydroxy-2-methylpropanoate
CID 14848524
ethyl (2S)-2-bromo-2-methyl-3-oxobutanoate
CID 101364312
ethyl 5-amino-2,2,4-trimethylpentanoate
CID 123521553
ethyl 2-[tert-butyl(dimethyl)silyl]oxy-5-methyl-2-(3-methylbutyl)hexanoate
CID 134864009

Frequently Asked Questions

What is the IUPAC name of ethyl (2S,3R)-2-bromo-2,4-dimethyl-3-trimethylsilyloxypentanoate?
The IUPAC name of ethyl (2S,3R)-2-bromo-2,4-dimethyl-3-trimethylsilyloxypentanoate (CID 101120407) is ethyl (2S,3R)-2-bromo-2,4-dimethyl-3-trimethylsilyloxypentanoate.
What is the SMILES notation for ethyl (2S,3R)-2-bromo-2,4-dimethyl-3-trimethylsilyloxypentanoate?
The canonical SMILES for ethyl (2S,3R)-2-bromo-2,4-dimethyl-3-trimethylsilyloxypentanoate is CCOC(=O)[C@@](C)(Br)[C@H](O[Si](C)(C)C)C(C)C.
What is the InChIKey of ethyl (2S,3R)-2-bromo-2,4-dimethyl-3-trimethylsilyloxypentanoate?
The InChIKey is YEGMMNITVSFHQB-PWSUYJOCSA-N. The full InChI is InChI=1S/C12H25BrO3Si/c1-8-15-11(14)12(4,13)10(9(2)3)16-17(5,6)7/h9-10H,8H2,1-7H3/t10-,12+/m1/s1.
What are the key properties of ethyl (2S,3R)-2-bromo-2,4-dimethyl-3-trimethylsilyloxypentanoate?
ethyl (2S,3R)-2-bromo-2,4-dimethyl-3-trimethylsilyloxypentanoate has a molecular weight of 325.32 g/mol, XLogP of 3.58, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (2S,3R)-2-bromo-2,4-dimethyl-3-trimethylsilyloxypentanoate is sourced from PubChem (CID 101120407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).