(2,2-dibromocyclopropyl) 2-methylpropanoate

C7H10Br2O2 — CID 134894365

IUPAC(2,2-dibromocyclopropyl) 2-methylpropanoate
SMILESCC(C)C(=O)OC1CC1(Br)Br
InChIInChI=1S/C7H10Br2O2/c1-4(2)6(10)11-5-3-7(5,8)9/h4-5H,3H2,1-2H3
InChIKeyURNHBMKMKBPIDB-UHFFFAOYSA-N
MW285.96 g/mol
LogP2.44
Rot. Bonds2

About (2,2-dibromocyclopropyl) 2-methylpropanoate

(2,2-dibromocyclopropyl) 2-methylpropanoate (PubChem CID 134894365) has the molecular formula C7H10Br2O2 and a molecular weight of 285.96 g/mol. Its IUPAC name is (2,2-dibromocyclopropyl) 2-methylpropanoate.

Molecular Properties

Compound Name(2,2-dibromocyclopropyl) 2-methylpropanoate
PubChem CID134894365
Molecular FormulaC7H10Br2O2
Molecular Weight285.96 g/mol
Exact Mass283.90
IUPAC Name(2,2-dibromocyclopropyl) 2-methylpropanoate
SMILESCC(C)C(=O)OC1CC1(Br)Br
InChIInChI=1S/C7H10Br2O2/c1-4(2)6(10)11-5-3-7(5,8)9/h4-5H,3H2,1-2H3
InChIKeyURNHBMKMKBPIDB-UHFFFAOYSA-N
XLogP2.44
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.96
LogP ≤ 52.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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-dibromocyclopropyl) 2-methylpropanoate?
The IUPAC name of (2,2-dibromocyclopropyl) 2-methylpropanoate (CID 134894365) is (2,2-dibromocyclopropyl) 2-methylpropanoate.
What is the SMILES notation for (2,2-dibromocyclopropyl) 2-methylpropanoate?
The canonical SMILES for (2,2-dibromocyclopropyl) 2-methylpropanoate is CC(C)C(=O)OC1CC1(Br)Br.
What is the InChIKey of (2,2-dibromocyclopropyl) 2-methylpropanoate?
The InChIKey is URNHBMKMKBPIDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10Br2O2/c1-4(2)6(10)11-5-3-7(5,8)9/h4-5H,3H2,1-2H3.
What are the key properties of (2,2-dibromocyclopropyl) 2-methylpropanoate?
(2,2-dibromocyclopropyl) 2-methylpropanoate has a molecular weight of 285.96 g/mol, XLogP of 2.44, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2,2-dibromocyclopropyl) 2-methylpropanoate is sourced from PubChem (CID 134894365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).