2-(3-bromopropyl)-3-ethyloxirane

C7H13BrO — CID 15654075

IUPAC2-(3-bromopropyl)-3-ethyloxirane
SMILESCCC1OC1CCCBr
InChIInChI=1S/C7H13BrO/c1-2-6-7(9-6)4-3-5-8/h6-7H,2-5H2,1H3
InChIKeyAWHPQGXKUBZPQR-UHFFFAOYSA-N
MW193.08 g/mol
LogP2.34
Rot. Bonds4

About 2-(3-bromopropyl)-3-ethyloxirane

2-(3-bromopropyl)-3-ethyloxirane (PubChem CID 15654075) has the molecular formula C7H13BrO and a molecular weight of 193.08 g/mol. Its IUPAC name is 2-(3-bromopropyl)-3-ethyloxirane.

Molecular Properties

Compound Name2-(3-bromopropyl)-3-ethyloxirane
PubChem CID15654075
Molecular FormulaC7H13BrO
Molecular Weight193.08 g/mol
Exact Mass192.01
IUPAC Name2-(3-bromopropyl)-3-ethyloxirane
SMILESCCC1OC1CCCBr
InChIInChI=1S/C7H13BrO/c1-2-6-7(9-6)4-3-5-8/h6-7H,2-5H2,1H3
InChIKeyAWHPQGXKUBZPQR-UHFFFAOYSA-N
XLogP2.34
TPSA12.53 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.08
LogP ≤ 52.34
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-(3-bromopropyl)-3-ethyloxirane?
The IUPAC name of 2-(3-bromopropyl)-3-ethyloxirane (CID 15654075) is 2-(3-bromopropyl)-3-ethyloxirane.
What is the SMILES notation for 2-(3-bromopropyl)-3-ethyloxirane?
The canonical SMILES for 2-(3-bromopropyl)-3-ethyloxirane is CCC1OC1CCCBr.
What is the InChIKey of 2-(3-bromopropyl)-3-ethyloxirane?
The InChIKey is AWHPQGXKUBZPQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13BrO/c1-2-6-7(9-6)4-3-5-8/h6-7H,2-5H2,1H3.
What are the key properties of 2-(3-bromopropyl)-3-ethyloxirane?
2-(3-bromopropyl)-3-ethyloxirane has a molecular weight of 193.08 g/mol, XLogP of 2.34, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-bromopropyl)-3-ethyloxirane is sourced from PubChem (CID 15654075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).