iron;undecahydrate

H22Fe3O11 — CID 42626946

IUPACiron;undecahydrate
SMILESO.O.O.O.O.O.O.O.O.O.O.[Fe].[Fe].[Fe]
InChIInChI=1S/3Fe.11H2O/h;;;11*1H2
InChIKeyMGGQIRZJFYMCGH-UHFFFAOYSA-N
MW365.70 g/mol
LogP-9.08
Rot. Bonds

About iron;undecahydrate

iron;undecahydrate (PubChem CID 42626946) has the molecular formula H22Fe3O11 and a molecular weight of 365.70 g/mol. Its IUPAC name is iron;undecahydrate.

Molecular Properties

Compound Nameiron;undecahydrate
PubChem CID42626946
Molecular FormulaH22Fe3O11
Molecular Weight365.70 g/mol
Exact Mass365.92
IUPAC Nameiron;undecahydrate
SMILESO.O.O.O.O.O.O.O.O.O.O.[Fe].[Fe].[Fe]
InChIInChI=1S/3Fe.11H2O/h;;;11*1H2
InChIKeyMGGQIRZJFYMCGH-UHFFFAOYSA-N
XLogP-9.08
TPSA346.50 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.70
LogP ≤ 5-9.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze iron;undecahydrate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

iron;dodecahydrate
CID 173337995
iron;hydrate
CID 173302268
iron;trihydrate
CID 56841934
iron dihydride;hydrate
CID 175916481
iron;tridecahydrate
CID 173126990
iron;trihydrate
CID 173070166
iron;λ2-plumbane;hydrate
CID 174833676
cobalt;iron;hydrate
CID 156591869
chromium;iron;trihydrate
CID 173372946
CID 175010158
CID 175010158
hafnium;iron;hydrate
CID 172852146
CID 170843835
CID 170843835

Frequently Asked Questions

What is the IUPAC name of iron;undecahydrate?
The IUPAC name of iron;undecahydrate (CID 42626946) is iron;undecahydrate.
What is the SMILES notation for iron;undecahydrate?
The canonical SMILES for iron;undecahydrate is O.O.O.O.O.O.O.O.O.O.O.[Fe].[Fe].[Fe].
What is the InChIKey of iron;undecahydrate?
The InChIKey is MGGQIRZJFYMCGH-UHFFFAOYSA-N. The full InChI is InChI=1S/3Fe.11H2O/h;;;11*1H2.
What are the key properties of iron;undecahydrate?
iron;undecahydrate has a molecular weight of 365.70 g/mol, XLogP of -9.08, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for iron;undecahydrate is sourced from PubChem (CID 42626946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).