2,3-dibromo-2,3-dimethylbutanoic acid

C6H10Br2O2 — CID 91080552

IUPAC2,3-dibromo-2,3-dimethylbutanoic acid
SMILESCC(C)(Br)C(C)(Br)C(=O)O
InChIInChI=1S/C6H10Br2O2/c1-5(2,7)6(3,8)4(9)10/h1-3H3,(H,9,10)
InChIKeyUKWCJDVQIVCIEL-UHFFFAOYSA-N
MW273.95 g/mol
LogP2.40
Rot. Bonds2

About 2,3-dibromo-2,3-dimethylbutanoic acid

2,3-dibromo-2,3-dimethylbutanoic acid (PubChem CID 91080552) has the molecular formula C6H10Br2O2 and a molecular weight of 273.95 g/mol. Its IUPAC name is 2,3-dibromo-2,3-dimethylbutanoic acid.

Molecular Properties

Compound Name2,3-dibromo-2,3-dimethylbutanoic acid
PubChem CID91080552
Molecular FormulaC6H10Br2O2
Molecular Weight273.95 g/mol
Exact Mass271.90
IUPAC Name2,3-dibromo-2,3-dimethylbutanoic acid
SMILESCC(C)(Br)C(C)(Br)C(=O)O
InChIInChI=1S/C6H10Br2O2/c1-5(2,7)6(3,8)4(9)10/h1-3H3,(H,9,10)
InChIKeyUKWCJDVQIVCIEL-UHFFFAOYSA-N
XLogP2.40
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.95
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2-bromo-2-methylpropanoic acid
CID 159388254
2-bromo-2-hydroxypropanoic acid
CID 88707429
(2S,3R)-2-bromo-3-hydroxy-2,3-dimethyl-4-oxobutanoic acid
CID 101102044
2-bromo-2-chloropropanoic acid
CID 523004
2,2-dimethylpropanoic acid
CID 87781698
2,3-dibromo-2-ethyl-3-methylbutanoic acid
CID 91152482
tetrakis(2,2-dimethylpropanoic acid);molybdenum
CID 171378141
2-hydroxy-2-(113C)methyl(1,2,3-13C3)propanoic acid
CID 71309334
2,2-dimethylpropanoic acid;lanthanum
CID 160817860
4-bromo-2-ethyl-2,4-dimethylhexanoic acid
CID 130468141
2-arsinoyl-2-methylpropanoic acid
CID 173079763
magnesium;2,2-dimethylpropanoic acid;hydride
CID 173170298

Frequently Asked Questions

What is the IUPAC name of 2,3-dibromo-2,3-dimethylbutanoic acid?
The IUPAC name of 2,3-dibromo-2,3-dimethylbutanoic acid (CID 91080552) is 2,3-dibromo-2,3-dimethylbutanoic acid.
What is the SMILES notation for 2,3-dibromo-2,3-dimethylbutanoic acid?
The canonical SMILES for 2,3-dibromo-2,3-dimethylbutanoic acid is CC(C)(Br)C(C)(Br)C(=O)O.
What is the InChIKey of 2,3-dibromo-2,3-dimethylbutanoic acid?
The InChIKey is UKWCJDVQIVCIEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10Br2O2/c1-5(2,7)6(3,8)4(9)10/h1-3H3,(H,9,10).
What are the key properties of 2,3-dibromo-2,3-dimethylbutanoic acid?
2,3-dibromo-2,3-dimethylbutanoic acid has a molecular weight of 273.95 g/mol, XLogP of 2.40, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dibromo-2,3-dimethylbutanoic acid is sourced from PubChem (CID 91080552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).