butane;carbanide;iron(3+)

C6H15Fe — CID 150229735

IUPACbutane;carbanide;iron(3+)
SMILES[CH2-]CCC.[CH3-].[CH3-].[Fe+3]
InChIInChI=1S/C4H9.2CH3.Fe/c1-3-4-2;;;/h1,3-4H2,2H3;2*1H3;/q3*-1;+3
InChIKeyFVFJXZUXAPIBCN-UHFFFAOYSA-N
MW143.03 g/mol
LogP2.52
Rot. Bonds1

About butane;carbanide;iron(3+)

butane;carbanide;iron(3+) (PubChem CID 150229735) has the molecular formula C6H15Fe and a molecular weight of 143.03 g/mol. Its IUPAC name is butane;carbanide;iron(3+).

Molecular Properties

Compound Namebutane;carbanide;iron(3+)
PubChem CID150229735
Molecular FormulaC6H15Fe
Molecular Weight143.03 g/mol
Exact Mass143.05
IUPAC Namebutane;carbanide;iron(3+)
SMILES[CH2-]CCC.[CH3-].[CH3-].[Fe+3]
InChIInChI=1S/C4H9.2CH3.Fe/c1-3-4-2;;;/h1,3-4H2,2H3;2*1H3;/q3*-1;+3
InChIKeyFVFJXZUXAPIBCN-UHFFFAOYSA-N
XLogP2.52
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500143.03
LogP ≤ 52.52
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 butane;carbanide;iron(3+)?
The IUPAC name of butane;carbanide;iron(3+) (CID 150229735) is butane;carbanide;iron(3+).
What is the SMILES notation for butane;carbanide;iron(3+)?
The canonical SMILES for butane;carbanide;iron(3+) is [CH2-]CCC.[CH3-].[CH3-].[Fe+3].
What is the InChIKey of butane;carbanide;iron(3+)?
The InChIKey is FVFJXZUXAPIBCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H9.2CH3.Fe/c1-3-4-2;;;/h1,3-4H2,2H3;2*1H3;/q3*-1;+3.
What are the key properties of butane;carbanide;iron(3+)?
butane;carbanide;iron(3+) has a molecular weight of 143.03 g/mol, XLogP of 2.52, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for butane;carbanide;iron(3+) is sourced from PubChem (CID 150229735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).