iodomethyl methyl carbonate

C3H5IO3 — CID 12769286

IUPACiodomethyl methyl carbonate
SMILESCOC(=O)OCI
InChIInChI=1S/C3H5IO3/c1-6-3(5)7-2-4/h2H2,1H3
InChIKeyJKYRBGSRNKUKPW-UHFFFAOYSA-N
MW215.97 g/mol
LogP1.16
Rot. Bonds1

About iodomethyl methyl carbonate

iodomethyl methyl carbonate (PubChem CID 12769286) has the molecular formula C3H5IO3 and a molecular weight of 215.97 g/mol. Its IUPAC name is iodomethyl methyl carbonate.

Molecular Properties

Compound Nameiodomethyl methyl carbonate
PubChem CID12769286
Molecular FormulaC3H5IO3
Molecular Weight215.97 g/mol
Exact Mass215.93
IUPAC Nameiodomethyl methyl carbonate
SMILESCOC(=O)OCI
InChIInChI=1S/C3H5IO3/c1-6-3(5)7-2-4/h2H2,1H3
InChIKeyJKYRBGSRNKUKPW-UHFFFAOYSA-N
XLogP1.16
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.97
LogP ≤ 51.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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 iodomethyl methyl carbonate?
The IUPAC name of iodomethyl methyl carbonate (CID 12769286) is iodomethyl methyl carbonate.
What is the SMILES notation for iodomethyl methyl carbonate?
The canonical SMILES for iodomethyl methyl carbonate is COC(=O)OCI.
What is the InChIKey of iodomethyl methyl carbonate?
The InChIKey is JKYRBGSRNKUKPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H5IO3/c1-6-3(5)7-2-4/h2H2,1H3.
What are the key properties of iodomethyl methyl carbonate?
iodomethyl methyl carbonate has a molecular weight of 215.97 g/mol, XLogP of 1.16, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for iodomethyl methyl carbonate is sourced from PubChem (CID 12769286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).