2-trimethylsilylethyl 2,4-dibromobutanoate

C9H18Br2O2Si — CID 13205256

IUPAC2-trimethylsilylethyl 2,4-dibromobutanoate
SMILESC[Si](C)(C)CCOC(=O)C(Br)CCBr
InChIInChI=1S/C9H18Br2O2Si/c1-14(2,3)7-6-13-9(12)8(11)4-5-10/h8H,4-7H2,1-3H3
InChIKeyDBCPNDHINXYVPQ-UHFFFAOYSA-N
MW346.14 g/mol
LogP3.42
Rot. Bonds6

About 2-trimethylsilylethyl 2,4-dibromobutanoate

2-trimethylsilylethyl 2,4-dibromobutanoate (PubChem CID 13205256) has the molecular formula C9H18Br2O2Si and a molecular weight of 346.14 g/mol. Its IUPAC name is 2-trimethylsilylethyl 2,4-dibromobutanoate.

Molecular Properties

Compound Name2-trimethylsilylethyl 2,4-dibromobutanoate
PubChem CID13205256
Molecular FormulaC9H18Br2O2Si
Molecular Weight346.14 g/mol
Exact Mass343.94
IUPAC Name2-trimethylsilylethyl 2,4-dibromobutanoate
SMILESC[Si](C)(C)CCOC(=O)C(Br)CCBr
InChIInChI=1S/C9H18Br2O2Si/c1-14(2,3)7-6-13-9(12)8(11)4-5-10/h8H,4-7H2,1-3H3
InChIKeyDBCPNDHINXYVPQ-UHFFFAOYSA-N
XLogP3.42
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.14
LogP ≤ 53.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2-trimethylsilylethyl 2,4-dibromobutanoate 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

2-trimethylsilylethyl 2,5-diamino-5-oxopentanoate
CID 174894859
propyl 2,3-dibromopropanoate
CID 522726
2-oxo-2-(2-trimethylsilylethoxy)acetic acid
CID 54505064
2-trimethylsilylethyl 2,4,4-trimethylpentanoate
CID 123363662
ethyl (2R)-2,5-dibromopentanoate
CID 98051251
2-trimethylsilylethyl (2R)-2-methylpent-4-ynoate
CID 160645931
2-trimethylsilylethyl (2S)-2-[[(2S)-2-methylpentanoyl]amino]pentanoate
CID 59061501
ethyl 2-[[(2S)-2,4-dibromobutanoyl]amino]acetate
CID 129394839
octyl 2-bromododecanoate
CID 146451299
2-[methyl(2-trimethylsilylethoxycarbonyl)amino]pentanoic acid
CID 162422079
propyl 4-bromo-2-hydroxybutanoate
CID 54121081
(3S)-3-methyl-5-oxo-5-(2-trimethylsilylethoxy)pentanoic acid
CID 86665259

Frequently Asked Questions

What is the IUPAC name of 2-trimethylsilylethyl 2,4-dibromobutanoate?
The IUPAC name of 2-trimethylsilylethyl 2,4-dibromobutanoate (CID 13205256) is 2-trimethylsilylethyl 2,4-dibromobutanoate.
What is the SMILES notation for 2-trimethylsilylethyl 2,4-dibromobutanoate?
The canonical SMILES for 2-trimethylsilylethyl 2,4-dibromobutanoate is C[Si](C)(C)CCOC(=O)C(Br)CCBr.
What is the InChIKey of 2-trimethylsilylethyl 2,4-dibromobutanoate?
The InChIKey is DBCPNDHINXYVPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18Br2O2Si/c1-14(2,3)7-6-13-9(12)8(11)4-5-10/h8H,4-7H2,1-3H3.
What are the key properties of 2-trimethylsilylethyl 2,4-dibromobutanoate?
2-trimethylsilylethyl 2,4-dibromobutanoate has a molecular weight of 346.14 g/mol, XLogP of 3.42, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-trimethylsilylethyl 2,4-dibromobutanoate is sourced from PubChem (CID 13205256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).