bis(ethylcyclopentane);iron

C14H28Fe — CID 51346167

IUPACbis(ethylcyclopentane);iron
SMILESCCC1CCCC1.CCC1CCCC1.[Fe]
InChIInChI=1S/2C7H14.Fe/c2*1-2-7-5-3-4-6-7;/h2*7H,2-6H2,1H3;
InChIKeyVYTAOMBYVYHJBO-UHFFFAOYSA-N
MW252.22 g/mol
LogP5.17
Rot. Bonds2

About bis(ethylcyclopentane);iron

bis(ethylcyclopentane);iron (PubChem CID 51346167) has the molecular formula C14H28Fe and a molecular weight of 252.22 g/mol. Its IUPAC name is bis(ethylcyclopentane);iron.

Molecular Properties

Compound Namebis(ethylcyclopentane);iron
PubChem CID51346167
Molecular FormulaC14H28Fe
Molecular Weight252.22 g/mol
Exact Mass252.15
IUPAC Namebis(ethylcyclopentane);iron
SMILESCCC1CCCC1.CCC1CCCC1.[Fe]
InChIInChI=1S/2C7H14.Fe/c2*1-2-7-5-3-4-6-7;/h2*7H,2-6H2,1H3;
InChIKeyVYTAOMBYVYHJBO-UHFFFAOYSA-N
XLogP5.17
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500252.22
LogP ≤ 55.17
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 bis(ethylcyclopentane);iron?
The IUPAC name of bis(ethylcyclopentane);iron (CID 51346167) is bis(ethylcyclopentane);iron.
What is the SMILES notation for bis(ethylcyclopentane);iron?
The canonical SMILES for bis(ethylcyclopentane);iron is CCC1CCCC1.CCC1CCCC1.[Fe].
What is the InChIKey of bis(ethylcyclopentane);iron?
The InChIKey is VYTAOMBYVYHJBO-UHFFFAOYSA-N. The full InChI is InChI=1S/2C7H14.Fe/c2*1-2-7-5-3-4-6-7;/h2*7H,2-6H2,1H3;.
What are the key properties of bis(ethylcyclopentane);iron?
bis(ethylcyclopentane);iron has a molecular weight of 252.22 g/mol, XLogP of 5.17, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for bis(ethylcyclopentane);iron is sourced from PubChem (CID 51346167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).