3-ethyl-3-iodooxetane

C5H9IO — CID 70858374

IUPAC3-ethyl-3-iodooxetane
SMILESCCC1(I)COC1
InChIInChI=1S/C5H9IO/c1-2-5(6)3-7-4-5/h2-4H2,1H3
InChIKeyITYYNXMGNPOYEI-UHFFFAOYSA-N
MW212.03 g/mol
LogP1.60
Rot. Bonds1

About 3-ethyl-3-iodooxetane

3-ethyl-3-iodooxetane (PubChem CID 70858374) has the molecular formula C5H9IO and a molecular weight of 212.03 g/mol. Its IUPAC name is 3-ethyl-3-iodooxetane.

Molecular Properties

Compound Name3-ethyl-3-iodooxetane
PubChem CID70858374
Molecular FormulaC5H9IO
Molecular Weight212.03 g/mol
Exact Mass211.97
IUPAC Name3-ethyl-3-iodooxetane
SMILESCCC1(I)COC1
InChIInChI=1S/C5H9IO/c1-2-5(6)3-7-4-5/h2-4H2,1H3
InChIKeyITYYNXMGNPOYEI-UHFFFAOYSA-N
XLogP1.60
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.03
LogP ≤ 51.60
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-ethyl-3-iodooxetane?
The IUPAC name of 3-ethyl-3-iodooxetane (CID 70858374) is 3-ethyl-3-iodooxetane.
What is the SMILES notation for 3-ethyl-3-iodooxetane?
The canonical SMILES for 3-ethyl-3-iodooxetane is CCC1(I)COC1.
What is the InChIKey of 3-ethyl-3-iodooxetane?
The InChIKey is ITYYNXMGNPOYEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H9IO/c1-2-5(6)3-7-4-5/h2-4H2,1H3.
What are the key properties of 3-ethyl-3-iodooxetane?
3-ethyl-3-iodooxetane has a molecular weight of 212.03 g/mol, XLogP of 1.60, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-3-iodooxetane is sourced from PubChem (CID 70858374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).