3-ethyl-3-(iodomethyl)oxetane

C6H11IO — CID 23092894

IUPAC3-ethyl-3-(iodomethyl)oxetane
SMILESCCC1(CI)COC1
InChIInChI=1S/C6H11IO/c1-2-6(3-7)4-8-5-6/h2-5H2,1H3
InChIKeyXDJIQWRWOJKPCS-UHFFFAOYSA-N
MW226.06 g/mol
LogP1.85
Rot. Bonds2

About 3-ethyl-3-(iodomethyl)oxetane

3-ethyl-3-(iodomethyl)oxetane (PubChem CID 23092894) has the molecular formula C6H11IO and a molecular weight of 226.06 g/mol. Its IUPAC name is 3-ethyl-3-(iodomethyl)oxetane.

Molecular Properties

Compound Name3-ethyl-3-(iodomethyl)oxetane
PubChem CID23092894
Molecular FormulaC6H11IO
Molecular Weight226.06 g/mol
Exact Mass225.99
IUPAC Name3-ethyl-3-(iodomethyl)oxetane
SMILESCCC1(CI)COC1
InChIInChI=1S/C6H11IO/c1-2-6(3-7)4-8-5-6/h2-5H2,1H3
InChIKeyXDJIQWRWOJKPCS-UHFFFAOYSA-N
XLogP1.85
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.06
LogP ≤ 51.85
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-(iodomethyl)oxetane?
The IUPAC name of 3-ethyl-3-(iodomethyl)oxetane (CID 23092894) is 3-ethyl-3-(iodomethyl)oxetane.
What is the SMILES notation for 3-ethyl-3-(iodomethyl)oxetane?
The canonical SMILES for 3-ethyl-3-(iodomethyl)oxetane is CCC1(CI)COC1.
What is the InChIKey of 3-ethyl-3-(iodomethyl)oxetane?
The InChIKey is XDJIQWRWOJKPCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11IO/c1-2-6(3-7)4-8-5-6/h2-5H2,1H3.
What are the key properties of 3-ethyl-3-(iodomethyl)oxetane?
3-ethyl-3-(iodomethyl)oxetane has a molecular weight of 226.06 g/mol, XLogP of 1.85, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-3-(iodomethyl)oxetane is sourced from PubChem (CID 23092894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).