ethane;iron(4+);hydrate

C8H22FeO — CID 172714198

IUPACethane;iron(4+);hydrate
SMILESO.[CH2-]C.[CH2-]C.[CH2-]C.[CH2-]C.[Fe+4]
InChIInChI=1S/4C2H5.Fe.H2O/c4*1-2;;/h4*1H2,2H3;;1H2/q4*-1;+4;
InChIKeyAQLHMFYVRHNITG-UHFFFAOYSA-N
MW190.11 g/mol
LogP2.53
Rot. Bonds

About ethane;iron(4+);hydrate

ethane;iron(4+);hydrate (PubChem CID 172714198) has the molecular formula C8H22FeO and a molecular weight of 190.11 g/mol. Its IUPAC name is ethane;iron(4+);hydrate.

Molecular Properties

Compound Nameethane;iron(4+);hydrate
PubChem CID172714198
Molecular FormulaC8H22FeO
Molecular Weight190.11 g/mol
Exact Mass190.10
IUPAC Nameethane;iron(4+);hydrate
SMILESO.[CH2-]C.[CH2-]C.[CH2-]C.[CH2-]C.[Fe+4]
InChIInChI=1S/4C2H5.Fe.H2O/c4*1-2;;/h4*1H2,2H3;;1H2/q4*-1;+4;
InChIKeyAQLHMFYVRHNITG-UHFFFAOYSA-N
XLogP2.53
TPSA31.50 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.11
LogP ≤ 52.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of ethane;iron(4+);hydrate?
The IUPAC name of ethane;iron(4+);hydrate (CID 172714198) is ethane;iron(4+);hydrate.
What is the SMILES notation for ethane;iron(4+);hydrate?
The canonical SMILES for ethane;iron(4+);hydrate is O.[CH2-]C.[CH2-]C.[CH2-]C.[CH2-]C.[Fe+4].
What is the InChIKey of ethane;iron(4+);hydrate?
The InChIKey is AQLHMFYVRHNITG-UHFFFAOYSA-N. The full InChI is InChI=1S/4C2H5.Fe.H2O/c4*1-2;;/h4*1H2,2H3;;1H2/q4*-1;+4;.
What are the key properties of ethane;iron(4+);hydrate?
ethane;iron(4+);hydrate has a molecular weight of 190.11 g/mol, XLogP of 2.53, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;iron(4+);hydrate is sourced from PubChem (CID 172714198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).