2-(1-bromo-2-methylpropyl)oxirane

C6H11BrO — CID 139703847

IUPAC2-(1-bromo-2-methylpropyl)oxirane
SMILESCC(C)C(Br)C1CO1
InChIInChI=1S/C6H11BrO/c1-4(2)6(7)5-3-8-5/h4-6H,3H2,1-2H3
InChIKeyDAEGZIMZRVKQPG-UHFFFAOYSA-N
MW179.06 g/mol
LogP1.80
Rot. Bonds2

About 2-(1-bromo-2-methylpropyl)oxirane

2-(1-bromo-2-methylpropyl)oxirane (PubChem CID 139703847) has the molecular formula C6H11BrO and a molecular weight of 179.06 g/mol. Its IUPAC name is 2-(1-bromo-2-methylpropyl)oxirane.

Molecular Properties

Compound Name2-(1-bromo-2-methylpropyl)oxirane
PubChem CID139703847
Molecular FormulaC6H11BrO
Molecular Weight179.06 g/mol
Exact Mass178.00
IUPAC Name2-(1-bromo-2-methylpropyl)oxirane
SMILESCC(C)C(Br)C1CO1
InChIInChI=1S/C6H11BrO/c1-4(2)6(7)5-3-8-5/h4-6H,3H2,1-2H3
InChIKeyDAEGZIMZRVKQPG-UHFFFAOYSA-N
XLogP1.80
TPSA12.53 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.06
LogP ≤ 51.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(1-bromo-2-methylpropyl)oxirane?
The IUPAC name of 2-(1-bromo-2-methylpropyl)oxirane (CID 139703847) is 2-(1-bromo-2-methylpropyl)oxirane.
What is the SMILES notation for 2-(1-bromo-2-methylpropyl)oxirane?
The canonical SMILES for 2-(1-bromo-2-methylpropyl)oxirane is CC(C)C(Br)C1CO1.
What is the InChIKey of 2-(1-bromo-2-methylpropyl)oxirane?
The InChIKey is DAEGZIMZRVKQPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11BrO/c1-4(2)6(7)5-3-8-5/h4-6H,3H2,1-2H3.
What are the key properties of 2-(1-bromo-2-methylpropyl)oxirane?
2-(1-bromo-2-methylpropyl)oxirane has a molecular weight of 179.06 g/mol, XLogP of 1.80, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-bromo-2-methylpropyl)oxirane is sourced from PubChem (CID 139703847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).