2-(2-bromobutoxy)oxetane

C7H13BrO2 — CID 57467556

IUPAC2-(2-bromobutoxy)oxetane
SMILESCCC(Br)COC1CCO1
InChIInChI=1S/C7H13BrO2/c1-2-6(8)5-10-7-3-4-9-7/h6-7H,2-5H2,1H3
InChIKeyCTJLRYCSERKBDN-UHFFFAOYSA-N
MW209.08 g/mol
LogP1.92
Rot. Bonds4

About 2-(2-bromobutoxy)oxetane

2-(2-bromobutoxy)oxetane (PubChem CID 57467556) has the molecular formula C7H13BrO2 and a molecular weight of 209.08 g/mol. Its IUPAC name is 2-(2-bromobutoxy)oxetane.

Molecular Properties

Compound Name2-(2-bromobutoxy)oxetane
PubChem CID57467556
Molecular FormulaC7H13BrO2
Molecular Weight209.08 g/mol
Exact Mass208.01
IUPAC Name2-(2-bromobutoxy)oxetane
SMILESCCC(Br)COC1CCO1
InChIInChI=1S/C7H13BrO2/c1-2-6(8)5-10-7-3-4-9-7/h6-7H,2-5H2,1H3
InChIKeyCTJLRYCSERKBDN-UHFFFAOYSA-N
XLogP1.92
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.08
LogP ≤ 51.92
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-bromobutoxy)oxetane?
The IUPAC name of 2-(2-bromobutoxy)oxetane (CID 57467556) is 2-(2-bromobutoxy)oxetane.
What is the SMILES notation for 2-(2-bromobutoxy)oxetane?
The canonical SMILES for 2-(2-bromobutoxy)oxetane is CCC(Br)COC1CCO1.
What is the InChIKey of 2-(2-bromobutoxy)oxetane?
The InChIKey is CTJLRYCSERKBDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13BrO2/c1-2-6(8)5-10-7-3-4-9-7/h6-7H,2-5H2,1H3.
What are the key properties of 2-(2-bromobutoxy)oxetane?
2-(2-bromobutoxy)oxetane has a molecular weight of 209.08 g/mol, XLogP of 1.92, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bromobutoxy)oxetane is sourced from PubChem (CID 57467556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).