3-(iodomethyl)-3-methoxyoxetane

C5H9IO2 — CID 135396476

IUPAC3-(iodomethyl)-3-methoxyoxetane
SMILESCOC1(CI)COC1
InChIInChI=1S/C5H9IO2/c1-7-5(2-6)3-8-4-5/h2-4H2,1H3
InChIKeyIZWYQNDBDPNFPP-UHFFFAOYSA-N
MW228.03 g/mol
LogP0.84
Rot. Bonds2

About 3-(iodomethyl)-3-methoxyoxetane

3-(iodomethyl)-3-methoxyoxetane (PubChem CID 135396476) has the molecular formula C5H9IO2 and a molecular weight of 228.03 g/mol. Its IUPAC name is 3-(iodomethyl)-3-methoxyoxetane.

Molecular Properties

Compound Name3-(iodomethyl)-3-methoxyoxetane
PubChem CID135396476
Molecular FormulaC5H9IO2
Molecular Weight228.03 g/mol
Exact Mass227.96
IUPAC Name3-(iodomethyl)-3-methoxyoxetane
SMILESCOC1(CI)COC1
InChIInChI=1S/C5H9IO2/c1-7-5(2-6)3-8-4-5/h2-4H2,1H3
InChIKeyIZWYQNDBDPNFPP-UHFFFAOYSA-N
XLogP0.84
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.03
LogP ≤ 50.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(3-methoxyoxetan-3-yl)methanesulfinate
CID 115013159
(1-methoxycyclopropyl)methanol
CID 22889103
3-methoxyoxetan-3-amine;hydrochloride
CID 175161306
(4-methoxyoxan-4-yl)methanethiol
CID 155822581
2-(4-methoxyoxan-4-yl)acetic acid
CID 84654866
2-[(3-methoxyoxolan-3-yl)methylcarbamoylamino]acetic acid
CID 104764175
(3-methoxyoxolan-3-yl)methylurea
CID 104704481
5-[(3-methoxyoxolan-3-yl)methylamino]-5-oxopentanoic acid
CID 104759098
1,1-dimethoxy-N-[(3-methoxyoxolan-3-yl)methyl]propan-2-amine
CID 104759779
3-methoxy-N-[(3-methoxyoxolan-3-yl)methyl]butan-2-amine
CID 104705834
(E)-N-[(3-methoxyoxolan-3-yl)methyl]but-2-en-1-amine
CID 107899239
N-[(3-methoxyoxolan-3-yl)methyl]-1-(oxan-4-yl)methanamine
CID 104704975

Frequently Asked Questions

What is the IUPAC name of 3-(iodomethyl)-3-methoxyoxetane?
The IUPAC name of 3-(iodomethyl)-3-methoxyoxetane (CID 135396476) is 3-(iodomethyl)-3-methoxyoxetane.
What is the SMILES notation for 3-(iodomethyl)-3-methoxyoxetane?
The canonical SMILES for 3-(iodomethyl)-3-methoxyoxetane is COC1(CI)COC1.
What is the InChIKey of 3-(iodomethyl)-3-methoxyoxetane?
The InChIKey is IZWYQNDBDPNFPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H9IO2/c1-7-5(2-6)3-8-4-5/h2-4H2,1H3.
What are the key properties of 3-(iodomethyl)-3-methoxyoxetane?
3-(iodomethyl)-3-methoxyoxetane has a molecular weight of 228.03 g/mol, XLogP of 0.84, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(iodomethyl)-3-methoxyoxetane is sourced from PubChem (CID 135396476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).