3-(2-iodoethyl)oxetane

C5H9IO — CID 84678856

IUPAC3-(2-iodoethyl)oxetane
SMILESICCC1COC1
InChIInChI=1S/C5H9IO/c6-2-1-5-3-7-4-5/h5H,1-4H2
InChIKeyUBVFXMJKTDGOFX-UHFFFAOYSA-N
MW212.03 g/mol
LogP1.46
Rot. Bonds2

About 3-(2-iodoethyl)oxetane

3-(2-iodoethyl)oxetane (PubChem CID 84678856) has the molecular formula C5H9IO and a molecular weight of 212.03 g/mol. Its IUPAC name is 3-(2-iodoethyl)oxetane.

Molecular Properties

Compound Name3-(2-iodoethyl)oxetane
PubChem CID84678856
Molecular FormulaC5H9IO
Molecular Weight212.03 g/mol
Exact Mass211.97
IUPAC Name3-(2-iodoethyl)oxetane
SMILESICCC1COC1
InChIInChI=1S/C5H9IO/c6-2-1-5-3-7-4-5/h5H,1-4H2
InChIKeyUBVFXMJKTDGOFX-UHFFFAOYSA-N
XLogP1.46
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.03
LogP ≤ 51.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-(2-iodoethyl)oxetane?
The IUPAC name of 3-(2-iodoethyl)oxetane (CID 84678856) is 3-(2-iodoethyl)oxetane.
What is the SMILES notation for 3-(2-iodoethyl)oxetane?
The canonical SMILES for 3-(2-iodoethyl)oxetane is ICCC1COC1.
What is the InChIKey of 3-(2-iodoethyl)oxetane?
The InChIKey is UBVFXMJKTDGOFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H9IO/c6-2-1-5-3-7-4-5/h5H,1-4H2.
What are the key properties of 3-(2-iodoethyl)oxetane?
3-(2-iodoethyl)oxetane has a molecular weight of 212.03 g/mol, XLogP of 1.46, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-iodoethyl)oxetane is sourced from PubChem (CID 84678856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).