2-iodo-1,3-dioxolane

C3H5IO2 — CID 54080216

IUPAC2-iodo-1,3-dioxolane
SMILESIC1OCCO1
InChIInChI=1S/C3H5IO2/c4-3-5-1-2-6-3/h3H,1-2H2
InChIKeyMMOONVHZTUXEJS-UHFFFAOYSA-N
MW199.97 g/mol
LogP0.75
Rot. Bonds

About 2-iodo-1,3-dioxolane

2-iodo-1,3-dioxolane (PubChem CID 54080216) has the molecular formula C3H5IO2 and a molecular weight of 199.97 g/mol. Its IUPAC name is 2-iodo-1,3-dioxolane.

Molecular Properties

Compound Name2-iodo-1,3-dioxolane
PubChem CID54080216
Molecular FormulaC3H5IO2
Molecular Weight199.97 g/mol
Exact Mass199.93
IUPAC Name2-iodo-1,3-dioxolane
SMILESIC1OCCO1
InChIInChI=1S/C3H5IO2/c4-3-5-1-2-6-3/h3H,1-2H2
InChIKeyMMOONVHZTUXEJS-UHFFFAOYSA-N
XLogP0.75
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.97
LogP ≤ 50.75
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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Frequently Asked Questions

What is the IUPAC name of 2-iodo-1,3-dioxolane?
The IUPAC name of 2-iodo-1,3-dioxolane (CID 54080216) is 2-iodo-1,3-dioxolane.
What is the SMILES notation for 2-iodo-1,3-dioxolane?
The canonical SMILES for 2-iodo-1,3-dioxolane is IC1OCCO1.
What is the InChIKey of 2-iodo-1,3-dioxolane?
The InChIKey is MMOONVHZTUXEJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H5IO2/c4-3-5-1-2-6-3/h3H,1-2H2.
What are the key properties of 2-iodo-1,3-dioxolane?
2-iodo-1,3-dioxolane has a molecular weight of 199.97 g/mol, XLogP of 0.75, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-iodo-1,3-dioxolane is sourced from PubChem (CID 54080216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).