bis(1-tert-butyl-3-ethylcyclopentane);carbanide;iron(2+)

C24H50Fe — CID 162292801

IUPACbis(1-tert-butyl-3-ethylcyclopentane);carbanide;iron(2+)
SMILESCCC1CCC(C(C)(C)C)C1.CCC1CCC(C(C)(C)C)C1.[CH3-].[CH3-].[Fe+2]
InChIInChI=1S/2C11H22.2CH3.Fe/c2*1-5-9-6-7-10(8-9)11(2,3)4;;;/h2*9-10H,5-8H2,1-4H3;2*1H3;/q;;2*-1;+2
InChIKeyXSYHMIVUNJKZMR-UHFFFAOYSA-N
MW394.51 g/mol
LogP8.62
Rot. Bonds2

About bis(1-tert-butyl-3-ethylcyclopentane);carbanide;iron(2+)

bis(1-tert-butyl-3-ethylcyclopentane);carbanide;iron(2+) (PubChem CID 162292801) has the molecular formula C24H50Fe and a molecular weight of 394.51 g/mol. Its IUPAC name is bis(1-tert-butyl-3-ethylcyclopentane);carbanide;iron(2+).

Molecular Properties

Compound Namebis(1-tert-butyl-3-ethylcyclopentane);carbanide;iron(2+)
PubChem CID162292801
Molecular FormulaC24H50Fe
Molecular Weight394.51 g/mol
Exact Mass394.33
IUPAC Namebis(1-tert-butyl-3-ethylcyclopentane);carbanide;iron(2+)
SMILESCCC1CCC(C(C)(C)C)C1.CCC1CCC(C(C)(C)C)C1.[CH3-].[CH3-].[Fe+2]
InChIInChI=1S/2C11H22.2CH3.Fe/c2*1-5-9-6-7-10(8-9)11(2,3)4;;;/h2*9-10H,5-8H2,1-4H3;2*1H3;/q;;2*-1;+2
InChIKeyXSYHMIVUNJKZMR-UHFFFAOYSA-N
XLogP8.62
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500394.51
LogP ≤ 58.62
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 bis(1-tert-butyl-3-ethylcyclopentane);carbanide;iron(2+)?
The IUPAC name of bis(1-tert-butyl-3-ethylcyclopentane);carbanide;iron(2+) (CID 162292801) is bis(1-tert-butyl-3-ethylcyclopentane);carbanide;iron(2+).
What is the SMILES notation for bis(1-tert-butyl-3-ethylcyclopentane);carbanide;iron(2+)?
The canonical SMILES for bis(1-tert-butyl-3-ethylcyclopentane);carbanide;iron(2+) is CCC1CCC(C(C)(C)C)C1.CCC1CCC(C(C)(C)C)C1.[CH3-].[CH3-].[Fe+2].
What is the InChIKey of bis(1-tert-butyl-3-ethylcyclopentane);carbanide;iron(2+)?
The InChIKey is XSYHMIVUNJKZMR-UHFFFAOYSA-N. The full InChI is InChI=1S/2C11H22.2CH3.Fe/c2*1-5-9-6-7-10(8-9)11(2,3)4;;;/h2*9-10H,5-8H2,1-4H3;2*1H3;/q;;2*-1;+2.
What are the key properties of bis(1-tert-butyl-3-ethylcyclopentane);carbanide;iron(2+)?
bis(1-tert-butyl-3-ethylcyclopentane);carbanide;iron(2+) has a molecular weight of 394.51 g/mol, XLogP of 8.62, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for bis(1-tert-butyl-3-ethylcyclopentane);carbanide;iron(2+) is sourced from PubChem (CID 162292801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).