4-iodo-5-methyl-1,3-dioxolane

C4H7IO2 — CID 146660754

IUPAC4-iodo-5-methyl-1,3-dioxolane
SMILESCC1OCOC1I
InChIInChI=1S/C4H7IO2/c1-3-4(5)7-2-6-3/h3-4H,2H2,1H3
InChIKeyIDLCSNFGDCTQKI-UHFFFAOYSA-N
MW214.00 g/mol
LogP1.14
Rot. Bonds

About 4-iodo-5-methyl-1,3-dioxolane

4-iodo-5-methyl-1,3-dioxolane (PubChem CID 146660754) has the molecular formula C4H7IO2 and a molecular weight of 214.00 g/mol. Its IUPAC name is 4-iodo-5-methyl-1,3-dioxolane.

Molecular Properties

Compound Name4-iodo-5-methyl-1,3-dioxolane
PubChem CID146660754
Molecular FormulaC4H7IO2
Molecular Weight214.00 g/mol
Exact Mass213.95
IUPAC Name4-iodo-5-methyl-1,3-dioxolane
SMILESCC1OCOC1I
InChIInChI=1S/C4H7IO2/c1-3-4(5)7-2-6-3/h3-4H,2H2,1H3
InChIKeyIDLCSNFGDCTQKI-UHFFFAOYSA-N
XLogP1.14
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.00
LogP ≤ 51.14
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'}

Analyze 4-iodo-5-methyl-1,3-dioxolane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-iodo-5-methyl-1,3-dioxolane?
The IUPAC name of 4-iodo-5-methyl-1,3-dioxolane (CID 146660754) is 4-iodo-5-methyl-1,3-dioxolane.
What is the SMILES notation for 4-iodo-5-methyl-1,3-dioxolane?
The canonical SMILES for 4-iodo-5-methyl-1,3-dioxolane is CC1OCOC1I.
What is the InChIKey of 4-iodo-5-methyl-1,3-dioxolane?
The InChIKey is IDLCSNFGDCTQKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H7IO2/c1-3-4(5)7-2-6-3/h3-4H,2H2,1H3.
What are the key properties of 4-iodo-5-methyl-1,3-dioxolane?
4-iodo-5-methyl-1,3-dioxolane has a molecular weight of 214.00 g/mol, XLogP of 1.14, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-iodo-5-methyl-1,3-dioxolane is sourced from PubChem (CID 146660754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).