iodooxy(trimethoxy)azanium

C3H9INO4+ — CID 163662182

IUPACiodooxy(trimethoxy)azanium
SMILESCO[N+](OC)(OC)OI
InChIInChI=1S/C3H9INO4/c1-6-5(7-2,8-3)9-4/h1-3H3/q+1
InChIKeyCPWXPRBZUBYBOF-UHFFFAOYSA-N
MW250.01 g/mol
LogP0.77
Rot. Bonds4

About iodooxy(trimethoxy)azanium

iodooxy(trimethoxy)azanium (PubChem CID 163662182) has the molecular formula C3H9INO4+ and a molecular weight of 250.01 g/mol. Its IUPAC name is iodooxy(trimethoxy)azanium.

Molecular Properties

Compound Nameiodooxy(trimethoxy)azanium
PubChem CID163662182
Molecular FormulaC3H9INO4+
Molecular Weight250.01 g/mol
Exact Mass249.96
IUPAC Nameiodooxy(trimethoxy)azanium
SMILESCO[N+](OC)(OC)OI
InChIInChI=1S/C3H9INO4/c1-6-5(7-2,8-3)9-4/h1-3H3/q+1
InChIKeyCPWXPRBZUBYBOF-UHFFFAOYSA-N
XLogP0.77
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.01
LogP ≤ 50.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of iodooxy(trimethoxy)azanium?
The IUPAC name of iodooxy(trimethoxy)azanium (CID 163662182) is iodooxy(trimethoxy)azanium.
What is the SMILES notation for iodooxy(trimethoxy)azanium?
The canonical SMILES for iodooxy(trimethoxy)azanium is CO[N+](OC)(OC)OI.
What is the InChIKey of iodooxy(trimethoxy)azanium?
The InChIKey is CPWXPRBZUBYBOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H9INO4/c1-6-5(7-2,8-3)9-4/h1-3H3/q+1.
What are the key properties of iodooxy(trimethoxy)azanium?
iodooxy(trimethoxy)azanium has a molecular weight of 250.01 g/mol, XLogP of 0.77, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for iodooxy(trimethoxy)azanium is sourced from PubChem (CID 163662182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).