2,3-dibromo-2-ethyl-3-methylbutanoic acid

C7H12Br2O2 — CID 91152482

IUPAC2,3-dibromo-2-ethyl-3-methylbutanoic acid
SMILESCCC(Br)(C(=O)O)C(C)(C)Br
InChIInChI=1S/C7H12Br2O2/c1-4-7(9,5(10)11)6(2,3)8/h4H2,1-3H3,(H,10,11)
InChIKeyQCPZPGSNVUMNDW-UHFFFAOYSA-N
MW287.98 g/mol
LogP2.79
Rot. Bonds3

About 2,3-dibromo-2-ethyl-3-methylbutanoic acid

2,3-dibromo-2-ethyl-3-methylbutanoic acid (PubChem CID 91152482) has the molecular formula C7H12Br2O2 and a molecular weight of 287.98 g/mol. Its IUPAC name is 2,3-dibromo-2-ethyl-3-methylbutanoic acid.

Molecular Properties

Compound Name2,3-dibromo-2-ethyl-3-methylbutanoic acid
PubChem CID91152482
Molecular FormulaC7H12Br2O2
Molecular Weight287.98 g/mol
Exact Mass285.92
IUPAC Name2,3-dibromo-2-ethyl-3-methylbutanoic acid
SMILESCCC(Br)(C(=O)O)C(C)(C)Br
InChIInChI=1S/C7H12Br2O2/c1-4-7(9,5(10)11)6(2,3)8/h4H2,1-3H3,(H,10,11)
InChIKeyQCPZPGSNVUMNDW-UHFFFAOYSA-N
XLogP2.79
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.98
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2,3-dibromo-2-ethyl-3-methylbutanoic acid?
The IUPAC name of 2,3-dibromo-2-ethyl-3-methylbutanoic acid (CID 91152482) is 2,3-dibromo-2-ethyl-3-methylbutanoic acid.
What is the SMILES notation for 2,3-dibromo-2-ethyl-3-methylbutanoic acid?
The canonical SMILES for 2,3-dibromo-2-ethyl-3-methylbutanoic acid is CCC(Br)(C(=O)O)C(C)(C)Br.
What is the InChIKey of 2,3-dibromo-2-ethyl-3-methylbutanoic acid?
The InChIKey is QCPZPGSNVUMNDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12Br2O2/c1-4-7(9,5(10)11)6(2,3)8/h4H2,1-3H3,(H,10,11).
What are the key properties of 2,3-dibromo-2-ethyl-3-methylbutanoic acid?
2,3-dibromo-2-ethyl-3-methylbutanoic acid has a molecular weight of 287.98 g/mol, XLogP of 2.79, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dibromo-2-ethyl-3-methylbutanoic acid is sourced from PubChem (CID 91152482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).