2,2-dibromo-3,3-dimethylcyclopropane-1-carboxylic acid

C6H8Br2O2 — CID 15594994

IUPAC2,2-dibromo-3,3-dimethylcyclopropane-1-carboxylic acid
SMILESCC1(C)C(C(=O)O)C1(Br)Br
InChIInChI=1S/C6H8Br2O2/c1-5(2)3(4(9)10)6(5,7)8/h3H,1-2H3,(H,9,10)
InChIKeyZSBOLHYFOZYNHS-UHFFFAOYSA-N
MW271.94 g/mol
LogP2.21
Rot. Bonds1

About 2,2-dibromo-3,3-dimethylcyclopropane-1-carboxylic acid

2,2-dibromo-3,3-dimethylcyclopropane-1-carboxylic acid (PubChem CID 15594994) has the molecular formula C6H8Br2O2 and a molecular weight of 271.94 g/mol. Its IUPAC name is 2,2-dibromo-3,3-dimethylcyclopropane-1-carboxylic acid.

Molecular Properties

Compound Name2,2-dibromo-3,3-dimethylcyclopropane-1-carboxylic acid
PubChem CID15594994
Molecular FormulaC6H8Br2O2
Molecular Weight271.94 g/mol
Exact Mass269.89
IUPAC Name2,2-dibromo-3,3-dimethylcyclopropane-1-carboxylic acid
SMILESCC1(C)C(C(=O)O)C1(Br)Br
InChIInChI=1S/C6H8Br2O2/c1-5(2)3(4(9)10)6(5,7)8/h3H,1-2H3,(H,9,10)
InChIKeyZSBOLHYFOZYNHS-UHFFFAOYSA-N
XLogP2.21
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.94
LogP ≤ 52.21
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 2,2-dibromo-3,3-dimethylcyclopropane-1-carboxylic acid?
The IUPAC name of 2,2-dibromo-3,3-dimethylcyclopropane-1-carboxylic acid (CID 15594994) is 2,2-dibromo-3,3-dimethylcyclopropane-1-carboxylic acid.
What is the SMILES notation for 2,2-dibromo-3,3-dimethylcyclopropane-1-carboxylic acid?
The canonical SMILES for 2,2-dibromo-3,3-dimethylcyclopropane-1-carboxylic acid is CC1(C)C(C(=O)O)C1(Br)Br.
What is the InChIKey of 2,2-dibromo-3,3-dimethylcyclopropane-1-carboxylic acid?
The InChIKey is ZSBOLHYFOZYNHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8Br2O2/c1-5(2)3(4(9)10)6(5,7)8/h3H,1-2H3,(H,9,10).
What are the key properties of 2,2-dibromo-3,3-dimethylcyclopropane-1-carboxylic acid?
2,2-dibromo-3,3-dimethylcyclopropane-1-carboxylic acid has a molecular weight of 271.94 g/mol, XLogP of 2.21, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dibromo-3,3-dimethylcyclopropane-1-carboxylic acid is sourced from PubChem (CID 15594994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).