bis(cyclopenta-1,3-diene);ethane;iron(4+)

C12H15Fe+ — CID 151124336

IUPACbis(cyclopenta-1,3-diene);ethane;iron(4+)
SMILES[CH2-]C.[Fe+4].c1cc[cH-]c1.c1cc[cH-]c1
InChIInChI=1S/2C5H5.C2H5.Fe/c2*1-2-4-5-3-1;1-2;/h2*1-5H;1H2,2H3;/q3*-1;+4
InChIKeyMSWCVGBSAJLEFL-UHFFFAOYSA-N
MW215.10 g/mol
LogP3.65
Rot. Bonds

About bis(cyclopenta-1,3-diene);ethane;iron(4+)

bis(cyclopenta-1,3-diene);ethane;iron(4+) (PubChem CID 151124336) has the molecular formula C12H15Fe+ and a molecular weight of 215.10 g/mol. Its IUPAC name is bis(cyclopenta-1,3-diene);ethane;iron(4+).

Molecular Properties

Compound Namebis(cyclopenta-1,3-diene);ethane;iron(4+)
PubChem CID151124336
Molecular FormulaC12H15Fe+
Molecular Weight215.10 g/mol
Exact Mass215.05
IUPAC Namebis(cyclopenta-1,3-diene);ethane;iron(4+)
SMILES[CH2-]C.[Fe+4].c1cc[cH-]c1.c1cc[cH-]c1
InChIInChI=1S/2C5H5.C2H5.Fe/c2*1-2-4-5-3-1;1-2;/h2*1-5H;1H2,2H3;/q3*-1;+4
InChIKeyMSWCVGBSAJLEFL-UHFFFAOYSA-N
XLogP3.65
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.10
LogP ≤ 53.65
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

cyclopenta-1,3-diene;ethane;ruthenium(2+)
CID 141259751
cyclopenta-1,3-diene;ethane;titanium(3+)
CID 154448215
bis(cyclopenta-1,3-diene);ethane;titanium(4+)
CID 140973450
cobalt(2+);cyclopenta-1,3-diene;ethane
CID 140891740
cyclopenta-1,3-diene;2-methylpropane;zirconium(2+)
CID 154420530
cyclopenta-1,3-diene;ethane;hydride;methanone;tungsten
CID 175527231
bis(cyclopenta-1,3-diene);gold
CID 140990202
bis(cyclopenta-1,3-diene);uranium(2+)
CID 154419061
cobalt;cyclopenta-1,3-diene
CID 25199992
bis(cyclopenta-1,3-diene);nickel
CID 25199994
cyclopenta-1,3-diene;tetramethylazanium
CID 134880327
bis(cyclopenta-1,3-diene);iron(4+);methanone
CID 174626871

Frequently Asked Questions

What is the IUPAC name of bis(cyclopenta-1,3-diene);ethane;iron(4+)?
The IUPAC name of bis(cyclopenta-1,3-diene);ethane;iron(4+) (CID 151124336) is bis(cyclopenta-1,3-diene);ethane;iron(4+).
What is the SMILES notation for bis(cyclopenta-1,3-diene);ethane;iron(4+)?
The canonical SMILES for bis(cyclopenta-1,3-diene);ethane;iron(4+) is [CH2-]C.[Fe+4].c1cc[cH-]c1.c1cc[cH-]c1.
What is the InChIKey of bis(cyclopenta-1,3-diene);ethane;iron(4+)?
The InChIKey is MSWCVGBSAJLEFL-UHFFFAOYSA-N. The full InChI is InChI=1S/2C5H5.C2H5.Fe/c2*1-2-4-5-3-1;1-2;/h2*1-5H;1H2,2H3;/q3*-1;+4.
What are the key properties of bis(cyclopenta-1,3-diene);ethane;iron(4+)?
bis(cyclopenta-1,3-diene);ethane;iron(4+) has a molecular weight of 215.10 g/mol, XLogP of 3.65, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for bis(cyclopenta-1,3-diene);ethane;iron(4+) is sourced from PubChem (CID 151124336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).