ethanol;iron;tetrahydrate;hydrochloride

C2H15ClFeO5 — CID 175371303

IUPACethanol;iron;tetrahydrate;hydrochloride
SMILESCCO.Cl.O.O.O.O.[Fe]
InChIInChI=1S/C2H6O.ClH.Fe.4H2O/c1-2-3;;;;;;/h3H,2H2,1H3;1H;;4*1H2
InChIKeyVPRGKBIEZPQWAR-UHFFFAOYSA-N
MW210.43 g/mol
LogP-2.88
Rot. Bonds

About ethanol;iron;tetrahydrate;hydrochloride

ethanol;iron;tetrahydrate;hydrochloride (PubChem CID 175371303) has the molecular formula C2H15ClFeO5 and a molecular weight of 210.43 g/mol. Its IUPAC name is ethanol;iron;tetrahydrate;hydrochloride.

Molecular Properties

Compound Nameethanol;iron;tetrahydrate;hydrochloride
PubChem CID175371303
Molecular FormulaC2H15ClFeO5
Molecular Weight210.43 g/mol
Exact Mass210.00
IUPAC Nameethanol;iron;tetrahydrate;hydrochloride
SMILESCCO.Cl.O.O.O.O.[Fe]
InChIInChI=1S/C2H6O.ClH.Fe.4H2O/c1-2-3;;;;;;/h3H,2H2,1H3;1H;;4*1H2
InChIKeyVPRGKBIEZPQWAR-UHFFFAOYSA-N
XLogP-2.88
TPSA146.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.43
LogP ≤ 5-2.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of ethanol;iron;tetrahydrate;hydrochloride?
The IUPAC name of ethanol;iron;tetrahydrate;hydrochloride (CID 175371303) is ethanol;iron;tetrahydrate;hydrochloride.
What is the SMILES notation for ethanol;iron;tetrahydrate;hydrochloride?
The canonical SMILES for ethanol;iron;tetrahydrate;hydrochloride is CCO.Cl.O.O.O.O.[Fe].
What is the InChIKey of ethanol;iron;tetrahydrate;hydrochloride?
The InChIKey is VPRGKBIEZPQWAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H6O.ClH.Fe.4H2O/c1-2-3;;;;;;/h3H,2H2,1H3;1H;;4*1H2.
What are the key properties of ethanol;iron;tetrahydrate;hydrochloride?
ethanol;iron;tetrahydrate;hydrochloride has a molecular weight of 210.43 g/mol, XLogP of -2.88, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethanol;iron;tetrahydrate;hydrochloride is sourced from PubChem (CID 175371303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).