ethyl 2,3-dibromo-3-hydroxy-2-methylpropanoate

C6H10Br2O3 — CID 175032866

IUPACethyl 2,3-dibromo-3-hydroxy-2-methylpropanoate
SMILESCCOC(=O)C(C)(Br)C(O)Br
InChIInChI=1S/C6H10Br2O3/c1-3-11-5(10)6(2,8)4(7)9/h4,9H,3H2,1-2H3
InChIKeyJIPNJZMSVPRJID-UHFFFAOYSA-N
MW289.95 g/mol
LogP1.42
Rot. Bonds3

About ethyl 2,3-dibromo-3-hydroxy-2-methylpropanoate

ethyl 2,3-dibromo-3-hydroxy-2-methylpropanoate (PubChem CID 175032866) has the molecular formula C6H10Br2O3 and a molecular weight of 289.95 g/mol. Its IUPAC name is ethyl 2,3-dibromo-3-hydroxy-2-methylpropanoate.

Molecular Properties

Compound Nameethyl 2,3-dibromo-3-hydroxy-2-methylpropanoate
PubChem CID175032866
Molecular FormulaC6H10Br2O3
Molecular Weight289.95 g/mol
Exact Mass287.90
IUPAC Nameethyl 2,3-dibromo-3-hydroxy-2-methylpropanoate
SMILESCCOC(=O)C(C)(Br)C(O)Br
InChIInChI=1S/C6H10Br2O3/c1-3-11-5(10)6(2,8)4(7)9/h4,9H,3H2,1-2H3
InChIKeyJIPNJZMSVPRJID-UHFFFAOYSA-N
XLogP1.42
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.95
LogP ≤ 51.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

ethane;ethyl 2-bromo-2-methylpropanoate
CID 142239978
triethyl 1,2-dibromoethane-1,1,2-tricarboxylate
CID 121223681
ethyl (2S,3R)-2-bromo-2-fluoro-3-hydroxy-4,4-dimethylpentanoate
CID 101158385
ethyl (2S,3R)-2-bromo-2,4-dimethyl-3-trimethylsilyloxypentanoate
CID 101120407
ethyl (2S)-2-bromo-2-methyl-3-oxobutanoate
CID 101364312
ethyl 3,3,3-tribromo-2-hydroxy-2-methylpropanoate
CID 14848524
ethyl (2S,3R)-2-bromo-5-[tert-butyl(dimethyl)silyl]oxy-3-hydroxy-2-methylpentanoate
CID 11210874
ethyl 2,2-dibromobutanoate
CID 11265786
tetraethyl 1,3-dibromopropane-1,1,3,3-tetracarboxylate
CID 14932665
ethyl (2R,3R)-2-amino-3-hydroxy-2-methylbutanoate
CID 131230217
ethyl 2,2-dimethylpropanoate;hydrochloride
CID 141019550
ethyl 2-bromo-2-hydroxyacetate
CID 57173380

Frequently Asked Questions

What is the IUPAC name of ethyl 2,3-dibromo-3-hydroxy-2-methylpropanoate?
The IUPAC name of ethyl 2,3-dibromo-3-hydroxy-2-methylpropanoate (CID 175032866) is ethyl 2,3-dibromo-3-hydroxy-2-methylpropanoate.
What is the SMILES notation for ethyl 2,3-dibromo-3-hydroxy-2-methylpropanoate?
The canonical SMILES for ethyl 2,3-dibromo-3-hydroxy-2-methylpropanoate is CCOC(=O)C(C)(Br)C(O)Br.
What is the InChIKey of ethyl 2,3-dibromo-3-hydroxy-2-methylpropanoate?
The InChIKey is JIPNJZMSVPRJID-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10Br2O3/c1-3-11-5(10)6(2,8)4(7)9/h4,9H,3H2,1-2H3.
What are the key properties of ethyl 2,3-dibromo-3-hydroxy-2-methylpropanoate?
ethyl 2,3-dibromo-3-hydroxy-2-methylpropanoate has a molecular weight of 289.95 g/mol, XLogP of 1.42, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2,3-dibromo-3-hydroxy-2-methylpropanoate is sourced from PubChem (CID 175032866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).