iodo methyl carbonate

C2H3IO3 — CID 18511769

IUPACiodo methyl carbonate
SMILESCOC(=O)OI
InChIInChI=1S/C2H3IO3/c1-5-2(4)6-3/h1H3
InChIKeyZGDXJXKPJWHPNW-UHFFFAOYSA-N
MW201.95 g/mol
LogP1.12
Rot. Bonds

About iodo methyl carbonate

iodo methyl carbonate (PubChem CID 18511769) has the molecular formula C2H3IO3 and a molecular weight of 201.95 g/mol. Its IUPAC name is iodo methyl carbonate.

Molecular Properties

Compound Nameiodo methyl carbonate
PubChem CID18511769
Molecular FormulaC2H3IO3
Molecular Weight201.95 g/mol
Exact Mass201.91
IUPAC Nameiodo methyl carbonate
SMILESCOC(=O)OI
InChIInChI=1S/C2H3IO3/c1-5-2(4)6-3/h1H3
InChIKeyZGDXJXKPJWHPNW-UHFFFAOYSA-N
XLogP1.12
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.95
LogP ≤ 51.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of iodo methyl carbonate?
The IUPAC name of iodo methyl carbonate (CID 18511769) is iodo methyl carbonate.
What is the SMILES notation for iodo methyl carbonate?
The canonical SMILES for iodo methyl carbonate is COC(=O)OI.
What is the InChIKey of iodo methyl carbonate?
The InChIKey is ZGDXJXKPJWHPNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H3IO3/c1-5-2(4)6-3/h1H3.
What are the key properties of iodo methyl carbonate?
iodo methyl carbonate has a molecular weight of 201.95 g/mol, XLogP of 1.12, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for iodo methyl carbonate is sourced from PubChem (CID 18511769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).