3-bromo-2-ethyl-2-methyloxirane

C5H9BrO — CID 141187885

IUPAC3-bromo-2-ethyl-2-methyloxirane
SMILESCCC1(C)OC1Br
InChIInChI=1S/C5H9BrO/c1-3-5(2)4(6)7-5/h4H,3H2,1-2H3
InChIKeyFRRHRSQJCSVPHY-UHFFFAOYSA-N
MW165.03 g/mol
LogP1.91
Rot. Bonds1

About 3-bromo-2-ethyl-2-methyloxirane

3-bromo-2-ethyl-2-methyloxirane (PubChem CID 141187885) has the molecular formula C5H9BrO and a molecular weight of 165.03 g/mol. Its IUPAC name is 3-bromo-2-ethyl-2-methyloxirane.

Molecular Properties

Compound Name3-bromo-2-ethyl-2-methyloxirane
PubChem CID141187885
Molecular FormulaC5H9BrO
Molecular Weight165.03 g/mol
Exact Mass163.98
IUPAC Name3-bromo-2-ethyl-2-methyloxirane
SMILESCCC1(C)OC1Br
InChIInChI=1S/C5H9BrO/c1-3-5(2)4(6)7-5/h4H,3H2,1-2H3
InChIKeyFRRHRSQJCSVPHY-UHFFFAOYSA-N
XLogP1.91
TPSA12.53 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.03
LogP ≤ 51.91
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'}

Analyze 3-bromo-2-ethyl-2-methyloxirane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-bromo-2-methyl-2-propyloxirane
CID 141287947
3-(bromomethyl)-2-ethyl-2-methyloxirane
CID 123341978
2-ethyl-2,6-dimethyl-1,3-oxathiane
CID 537059
2-ethyl-4-(2-ethyl-2-methyl-1,3-dioxolan-4-yl)-2-methyl-1,3-dioxolane
CID 77335045
(5-ethyl-2,2-dimethyl-1,3-dioxolan-4-yl)methylphosphane
CID 149474091
CID 159087942
CID 159087942
3-chloro-2-ethyl-2-methyloxolane
CID 13494584
(2R,5S)-2-ethyl-2,3,3,5-tetramethyloxolane
CID 89295957
2,4-diethyl-2-methyl-1,3-dioxolane
CID 59435311
(3R)-3-ethyl-2,2-dimethyloxirane
CID 12568504
3,3-diethylsiletane
CID 15720725
2-bromo-5-(bromomethyl)-3,3-dimethyloxolane
CID 10355860

Frequently Asked Questions

What is the IUPAC name of 3-bromo-2-ethyl-2-methyloxirane?
The IUPAC name of 3-bromo-2-ethyl-2-methyloxirane (CID 141187885) is 3-bromo-2-ethyl-2-methyloxirane.
What is the SMILES notation for 3-bromo-2-ethyl-2-methyloxirane?
The canonical SMILES for 3-bromo-2-ethyl-2-methyloxirane is CCC1(C)OC1Br.
What is the InChIKey of 3-bromo-2-ethyl-2-methyloxirane?
The InChIKey is FRRHRSQJCSVPHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H9BrO/c1-3-5(2)4(6)7-5/h4H,3H2,1-2H3.
What are the key properties of 3-bromo-2-ethyl-2-methyloxirane?
3-bromo-2-ethyl-2-methyloxirane has a molecular weight of 165.03 g/mol, XLogP of 1.91, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-2-ethyl-2-methyloxirane is sourced from PubChem (CID 141187885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).