iron;methane;molecular hydrogen

CH12Fe2 — CID 159772450

IUPACiron;methane;molecular hydrogen
SMILESC.[Fe].[Fe].[H][H].[H][H].[H][H].[H][H]
InChIInChI=1S/CH4.2Fe.4H2/h1H4;;;4*1H
InChIKeyNGHFHPILUWJYMO-UHFFFAOYSA-N
MW135.80 g/mol
LogP1.62
Rot. Bonds

About iron;methane;molecular hydrogen

iron;methane;molecular hydrogen (PubChem CID 159772450) has the molecular formula CH12Fe2 and a molecular weight of 135.80 g/mol. Its IUPAC name is iron;methane;molecular hydrogen.

Molecular Properties

Compound Nameiron;methane;molecular hydrogen
PubChem CID159772450
Molecular FormulaCH12Fe2
Molecular Weight135.80 g/mol
Exact Mass135.96
IUPAC Nameiron;methane;molecular hydrogen
SMILESC.[Fe].[Fe].[H][H].[H][H].[H][H].[H][H]
InChIInChI=1S/CH4.2Fe.4H2/h1H4;;;4*1H
InChIKeyNGHFHPILUWJYMO-UHFFFAOYSA-N
XLogP1.62
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms3
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500135.80
LogP ≤ 51.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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 iron;methane;molecular hydrogen?
The IUPAC name of iron;methane;molecular hydrogen (CID 159772450) is iron;methane;molecular hydrogen.
What is the SMILES notation for iron;methane;molecular hydrogen?
The canonical SMILES for iron;methane;molecular hydrogen is C.[Fe].[Fe].[H][H].[H][H].[H][H].[H][H].
What is the InChIKey of iron;methane;molecular hydrogen?
The InChIKey is NGHFHPILUWJYMO-UHFFFAOYSA-N. The full InChI is InChI=1S/CH4.2Fe.4H2/h1H4;;;4*1H.
What are the key properties of iron;methane;molecular hydrogen?
iron;methane;molecular hydrogen has a molecular weight of 135.80 g/mol, XLogP of 1.62, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for iron;methane;molecular hydrogen is sourced from PubChem (CID 159772450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).