2-(bromomethyl)-3-ethyloxirane

C5H9BrO — CID 22052895

IUPAC2-(bromomethyl)-3-ethyloxirane
SMILESCCC1OC1CBr
InChIInChI=1S/C5H9BrO/c1-2-4-5(3-6)7-4/h4-5H,2-3H2,1H3
InChIKeyLKYCAAULXGRNFC-UHFFFAOYSA-N
MW165.03 g/mol
LogP1.56
Rot. Bonds2

About 2-(bromomethyl)-3-ethyloxirane

2-(bromomethyl)-3-ethyloxirane (PubChem CID 22052895) has the molecular formula C5H9BrO and a molecular weight of 165.03 g/mol. Its IUPAC name is 2-(bromomethyl)-3-ethyloxirane.

Molecular Properties

Compound Name2-(bromomethyl)-3-ethyloxirane
PubChem CID22052895
Molecular FormulaC5H9BrO
Molecular Weight165.03 g/mol
Exact Mass163.98
IUPAC Name2-(bromomethyl)-3-ethyloxirane
SMILESCCC1OC1CBr
InChIInChI=1S/C5H9BrO/c1-2-4-5(3-6)7-4/h4-5H,2-3H2,1H3
InChIKeyLKYCAAULXGRNFC-UHFFFAOYSA-N
XLogP1.56
TPSA12.53 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.03
LogP ≤ 51.56
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-(bromomethyl)-3-ethyloxirane?
The IUPAC name of 2-(bromomethyl)-3-ethyloxirane (CID 22052895) is 2-(bromomethyl)-3-ethyloxirane.
What is the SMILES notation for 2-(bromomethyl)-3-ethyloxirane?
The canonical SMILES for 2-(bromomethyl)-3-ethyloxirane is CCC1OC1CBr.
What is the InChIKey of 2-(bromomethyl)-3-ethyloxirane?
The InChIKey is LKYCAAULXGRNFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H9BrO/c1-2-4-5(3-6)7-4/h4-5H,2-3H2,1H3.
What are the key properties of 2-(bromomethyl)-3-ethyloxirane?
2-(bromomethyl)-3-ethyloxirane has a molecular weight of 165.03 g/mol, XLogP of 1.56, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(bromomethyl)-3-ethyloxirane is sourced from PubChem (CID 22052895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).