iodooxymethyl methyl carbonate

C3H5IO4 — CID 90378493

IUPACiodooxymethyl methyl carbonate
SMILESCOC(=O)OCOI
InChIInChI=1S/C3H5IO4/c1-6-3(5)7-2-8-4/h2H2,1H3
InChIKeyGASVYVFYNISQTI-UHFFFAOYSA-N
MW231.97 g/mol
LogP1.09
Rot. Bonds2

About iodooxymethyl methyl carbonate

iodooxymethyl methyl carbonate (PubChem CID 90378493) has the molecular formula C3H5IO4 and a molecular weight of 231.97 g/mol. Its IUPAC name is iodooxymethyl methyl carbonate.

Molecular Properties

Compound Nameiodooxymethyl methyl carbonate
PubChem CID90378493
Molecular FormulaC3H5IO4
Molecular Weight231.97 g/mol
Exact Mass231.92
IUPAC Nameiodooxymethyl methyl carbonate
SMILESCOC(=O)OCOI
InChIInChI=1S/C3H5IO4/c1-6-3(5)7-2-8-4/h2H2,1H3
InChIKeyGASVYVFYNISQTI-UHFFFAOYSA-N
XLogP1.09
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.97
LogP ≤ 51.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of iodooxymethyl methyl carbonate?
The IUPAC name of iodooxymethyl methyl carbonate (CID 90378493) is iodooxymethyl methyl carbonate.
What is the SMILES notation for iodooxymethyl methyl carbonate?
The canonical SMILES for iodooxymethyl methyl carbonate is COC(=O)OCOI.
What is the InChIKey of iodooxymethyl methyl carbonate?
The InChIKey is GASVYVFYNISQTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H5IO4/c1-6-3(5)7-2-8-4/h2H2,1H3.
What are the key properties of iodooxymethyl methyl carbonate?
iodooxymethyl methyl carbonate has a molecular weight of 231.97 g/mol, XLogP of 1.09, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for iodooxymethyl methyl carbonate is sourced from PubChem (CID 90378493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).