zinc methyl (2R)-3-bromo-2-methylpropanoate

C5H9BrO2Zn+2 — CID 175736425

IUPACzinc methyl (2R)-3-bromo-2-methylpropanoate
SMILESCOC(=O)[C@@H](C)CBr.[Zn+2]
InChIInChI=1S/C5H9BrO2.Zn/c1-4(3-6)5(7)8-2;/h4H,3H2,1-2H3;/q;+2/t4-;/m0./s1
InChIKeyJZXGMFSQYSBXCR-WCCKRBBISA-N
MW246.42 g/mol
LogP1.19
Rot. Bonds2

About zinc methyl (2R)-3-bromo-2-methylpropanoate

zinc methyl (2R)-3-bromo-2-methylpropanoate (PubChem CID 175736425) has the molecular formula C5H9BrO2Zn+2 and a molecular weight of 246.42 g/mol. Its IUPAC name is zinc methyl (2R)-3-bromo-2-methylpropanoate.

Molecular Properties

Compound Namezinc methyl (2R)-3-bromo-2-methylpropanoate
PubChem CID175736425
Molecular FormulaC5H9BrO2Zn+2
Molecular Weight246.42 g/mol
Exact Mass243.91
IUPAC Namezinc methyl (2R)-3-bromo-2-methylpropanoate
SMILESCOC(=O)[C@@H](C)CBr.[Zn+2]
InChIInChI=1S/C5H9BrO2.Zn/c1-4(3-6)5(7)8-2;/h4H,3H2,1-2H3;/q;+2/t4-;/m0./s1
InChIKeyJZXGMFSQYSBXCR-WCCKRBBISA-N
XLogP1.19
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.42
LogP ≤ 51.19
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'}

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Related Compounds

methyl (2S)-3-bromo-2-methylpropanoate;zinc
CID 158954995
ethane;methyl (2R)-2-methylbutanoate
CID 143689114
ethyl (2S)-3-bromo-2-methylpropanoate
CID 12730420
propan-2-yl 3-bromo-2-methylpropanoate
CID 12966121
methyl 3-bromo-2-methoxypropanoate
CID 13085535
[(2R)-3-methoxy-2-methyl-3-oxopropyl]azanium
CID 51704146
methyl (2S)-4-amino-2-methylpentanoate
CID 88911479
dimethyl (2S,7S)-2,7-dimethyloct-4-ynedioate
CID 163588468
methyl (2R,3R)-2,3,4-tribromobutanoate
CID 98084971
methyl (2S,3R)-2,3,4-tribromobutanoate
CID 98084970
CID 58391087
CID 58391087
methyl 4-iodo-2-methylbutanoate
CID 71420285

Frequently Asked Questions

What is the IUPAC name of zinc methyl (2R)-3-bromo-2-methylpropanoate?
The IUPAC name of zinc methyl (2R)-3-bromo-2-methylpropanoate (CID 175736425) is zinc methyl (2R)-3-bromo-2-methylpropanoate.
What is the SMILES notation for zinc methyl (2R)-3-bromo-2-methylpropanoate?
The canonical SMILES for zinc methyl (2R)-3-bromo-2-methylpropanoate is COC(=O)[C@@H](C)CBr.[Zn+2].
What is the InChIKey of zinc methyl (2R)-3-bromo-2-methylpropanoate?
The InChIKey is JZXGMFSQYSBXCR-WCCKRBBISA-N. The full InChI is InChI=1S/C5H9BrO2.Zn/c1-4(3-6)5(7)8-2;/h4H,3H2,1-2H3;/q;+2/t4-;/m0./s1.
What are the key properties of zinc methyl (2R)-3-bromo-2-methylpropanoate?
zinc methyl (2R)-3-bromo-2-methylpropanoate has a molecular weight of 246.42 g/mol, XLogP of 1.19, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for zinc methyl (2R)-3-bromo-2-methylpropanoate is sourced from PubChem (CID 175736425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).