sodium;iron;3-methyldioxiran-3-olate

C2H3FeNaO3 — CID 174549643

IUPACsodium;iron;3-methyldioxiran-3-olate
SMILESCC1([O-])OO1.[Fe].[Na+]
InChIInChI=1S/C2H3O3.Fe.Na/c1-2(3)4-5-2;;/h1H3;;/q-1;;+1
InChIKeyAFILUFHLTDBSLU-UHFFFAOYSA-N
MW153.88 g/mol
LogP-4.02
Rot. Bonds

About sodium;iron;3-methyldioxiran-3-olate

sodium;iron;3-methyldioxiran-3-olate (PubChem CID 174549643) has the molecular formula C2H3FeNaO3 and a molecular weight of 153.88 g/mol. Its IUPAC name is sodium;iron;3-methyldioxiran-3-olate.

Molecular Properties

Compound Namesodium;iron;3-methyldioxiran-3-olate
PubChem CID174549643
Molecular FormulaC2H3FeNaO3
Molecular Weight153.88 g/mol
Exact Mass153.93
IUPAC Namesodium;iron;3-methyldioxiran-3-olate
SMILESCC1([O-])OO1.[Fe].[Na+]
InChIInChI=1S/C2H3O3.Fe.Na/c1-2(3)4-5-2;;/h1H3;;/q-1;;+1
InChIKeyAFILUFHLTDBSLU-UHFFFAOYSA-N
XLogP-4.02
TPSA48.12 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.88
LogP ≤ 5-4.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'peroxide', 'substructure': 'N/A'}, {'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Related Compounds

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CID 536100
4,8-ditert-butyl-4,8-dimethyl-1,2,6,7-tetraoxadispiro[2.1.25.13]octane
CID 101147519
potassium 3-methoxydioxiran-3-olate
CID 88712055
sodium 5-(2,2-dimethylpropyl)-5-methyl-2-oxo-1,3-oxazol-4-olate
CID 138400847
fluoromethane;iron
CID 158707128
sodium 5-(2,2-dimethylpropyl)-5-methyl-1,3-oxazolidine-2,4-dione
CID 21119422
2,2,4,4,6,6,8,8,10,10-decamethyl-1,3,5,7,9-pentaoxecane
CID 160795972
3-ethenyl-3-methyldioxirane
CID 91589551
bis(2-methyloxiran-2-yl)silane
CID 175755008
potassium 3-hydroxy-2,2,4,4-tetramethyloxetane-3-carboxylate
CID 146082426
sodium 1-methyl-4-propan-2-ylcyclohexan-1-olate
CID 140986186
sodium;methane;methanolate
CID 172867493

Frequently Asked Questions

What is the IUPAC name of sodium;iron;3-methyldioxiran-3-olate?
The IUPAC name of sodium;iron;3-methyldioxiran-3-olate (CID 174549643) is sodium;iron;3-methyldioxiran-3-olate.
What is the SMILES notation for sodium;iron;3-methyldioxiran-3-olate?
The canonical SMILES for sodium;iron;3-methyldioxiran-3-olate is CC1([O-])OO1.[Fe].[Na+].
What is the InChIKey of sodium;iron;3-methyldioxiran-3-olate?
The InChIKey is AFILUFHLTDBSLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H3O3.Fe.Na/c1-2(3)4-5-2;;/h1H3;;/q-1;;+1.
What are the key properties of sodium;iron;3-methyldioxiran-3-olate?
sodium;iron;3-methyldioxiran-3-olate has a molecular weight of 153.88 g/mol, XLogP of -4.02, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for sodium;iron;3-methyldioxiran-3-olate is sourced from PubChem (CID 174549643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).