carbanide;iron(4+)

C4H12Fe — CID 59551629

IUPACcarbanide;iron(4+)
SMILES[CH3-].[CH3-].[CH3-].[CH3-].[Fe+4]
InChIInChI=1S/4CH3.Fe/h4*1H3;/q4*-1;+4
InChIKeyBPMSLYRQBCOFAC-UHFFFAOYSA-N
MW115.98 g/mol
LogP1.80
Rot. Bonds

About carbanide;iron(4+)

carbanide;iron(4+) (PubChem CID 59551629) has the molecular formula C4H12Fe and a molecular weight of 115.98 g/mol. Its IUPAC name is carbanide;iron(4+).

Molecular Properties

Compound Namecarbanide;iron(4+)
PubChem CID59551629
Molecular FormulaC4H12Fe
Molecular Weight115.98 g/mol
Exact Mass116.03
IUPAC Namecarbanide;iron(4+)
SMILES[CH3-].[CH3-].[CH3-].[CH3-].[Fe+4]
InChIInChI=1S/4CH3.Fe/h4*1H3;/q4*-1;+4
InChIKeyBPMSLYRQBCOFAC-UHFFFAOYSA-N
XLogP1.80
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms5
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500115.98
LogP ≤ 51.80
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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Related Compounds

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CID 59522549
carbanide;chlororhodium(2+);2-methylpropane
CID 165179050
trisodium;carbanide
CID 177255595
carbanide;ethane;2-methylpropane;vanadium
CID 59877946
carbanide;tetrakis(titanium(2+))
CID 175302752
carbanide;iron
CID 20780669
carbanide;molybdenum
CID 12949029
carbanide;cobalt
CID 142655943
actinium;carbanide
CID 22942508
carbanide;nickel
CID 134822073

Frequently Asked Questions

What is the IUPAC name of carbanide;iron(4+)?
The IUPAC name of carbanide;iron(4+) (CID 59551629) is carbanide;iron(4+).
What is the SMILES notation for carbanide;iron(4+)?
The canonical SMILES for carbanide;iron(4+) is [CH3-].[CH3-].[CH3-].[CH3-].[Fe+4].
What is the InChIKey of carbanide;iron(4+)?
The InChIKey is BPMSLYRQBCOFAC-UHFFFAOYSA-N. The full InChI is InChI=1S/4CH3.Fe/h4*1H3;/q4*-1;+4.
What are the key properties of carbanide;iron(4+)?
carbanide;iron(4+) has a molecular weight of 115.98 g/mol, XLogP of 1.80, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for carbanide;iron(4+) is sourced from PubChem (CID 59551629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).