bis(2-ethoxyethanolate);iron(2+)

C8H18FeO4 — CID 160755483

IUPACbis(2-ethoxyethanolate);iron(2+)
SMILESCCOCC[O-].CCOCC[O-].[Fe+2]
InChIInChI=1S/2C4H9O2.Fe/c2*1-2-6-4-3-5;/h2*2-4H2,1H3;/q2*-1;+2
InChIKeyRXJHNZUXQYKBMH-UHFFFAOYSA-N
MW234.07 g/mol
LogP-1.24
Rot. Bonds6

About bis(2-ethoxyethanolate);iron(2+)

bis(2-ethoxyethanolate);iron(2+) (PubChem CID 160755483) has the molecular formula C8H18FeO4 and a molecular weight of 234.07 g/mol. Its IUPAC name is bis(2-ethoxyethanolate);iron(2+).

Molecular Properties

Compound Namebis(2-ethoxyethanolate);iron(2+)
PubChem CID160755483
Molecular FormulaC8H18FeO4
Molecular Weight234.07 g/mol
Exact Mass234.06
IUPAC Namebis(2-ethoxyethanolate);iron(2+)
SMILESCCOCC[O-].CCOCC[O-].[Fe+2]
InChIInChI=1S/2C4H9O2.Fe/c2*1-2-6-4-3-5;/h2*2-4H2,1H3;/q2*-1;+2
InChIKeyRXJHNZUXQYKBMH-UHFFFAOYSA-N
XLogP-1.24
TPSA64.58 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.07
LogP ≤ 5-1.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-ethoxyethanolate
CID 22392618
sodium 2-(2-ethoxyethoxy)ethanolate
CID 23709816
potassium 2-(2-ethoxyethoxy)ethanolate
CID 23702464
bis(2-ethoxyethanolate);tris(propan-2-olate);tantalum(5+)
CID 173418844
1-ethoxypropane;methane
CID 158784820
1,2-diethoxyethane;hydrofluoride
CID 175535770
1-[2-[2-[2-[2-[2-(2-ethoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propane
CID 88861501
chloromercury;1-ethoxypropane
CID 175272647
1,2-diethoxyethane;ethene
CID 158825770
sodium;1,2-diethoxyethane;hydride
CID 174903036
pentakis(2-butoxyethanolate);tantalum(5+)
CID 22112128
barium(2+);bis(2-butoxyethanolate)
CID 19598526

Frequently Asked Questions

What is the IUPAC name of bis(2-ethoxyethanolate);iron(2+)?
The IUPAC name of bis(2-ethoxyethanolate);iron(2+) (CID 160755483) is bis(2-ethoxyethanolate);iron(2+).
What is the SMILES notation for bis(2-ethoxyethanolate);iron(2+)?
The canonical SMILES for bis(2-ethoxyethanolate);iron(2+) is CCOCC[O-].CCOCC[O-].[Fe+2].
What is the InChIKey of bis(2-ethoxyethanolate);iron(2+)?
The InChIKey is RXJHNZUXQYKBMH-UHFFFAOYSA-N. The full InChI is InChI=1S/2C4H9O2.Fe/c2*1-2-6-4-3-5;/h2*2-4H2,1H3;/q2*-1;+2.
What are the key properties of bis(2-ethoxyethanolate);iron(2+)?
bis(2-ethoxyethanolate);iron(2+) has a molecular weight of 234.07 g/mol, XLogP of -1.24, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for bis(2-ethoxyethanolate);iron(2+) is sourced from PubChem (CID 160755483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).