cyclohexane;cyclopenta-1,3-diene;cyclopentane;iron

C16H22Fe-6 — CID 174474738

IUPACcyclohexane;cyclopenta-1,3-diene;cyclopentane;iron
SMILESC1CCCCC1.[Fe].[cH-]1[cH-][cH-][cH-][cH-]1.c1cc[cH-]c1
InChIInChI=1S/C6H12.2C5H5.Fe/c1-2-4-6-5-3-1;2*1-2-4-5-3-1;/h1-6H2;2*1-5H;/q;-5;-1;
InChIKeyCURWWLNVFIXEOA-UHFFFAOYSA-N
MW270.20 g/mol
LogP5.15
Rot. Bonds

About cyclohexane;cyclopenta-1,3-diene;cyclopentane;iron

cyclohexane;cyclopenta-1,3-diene;cyclopentane;iron (PubChem CID 174474738) has the molecular formula C16H22Fe-6 and a molecular weight of 270.20 g/mol. Its IUPAC name is cyclohexane;cyclopenta-1,3-diene;cyclopentane;iron.

Molecular Properties

Compound Namecyclohexane;cyclopenta-1,3-diene;cyclopentane;iron
PubChem CID174474738
Molecular FormulaC16H22Fe-6
Molecular Weight270.20 g/mol
Exact Mass270.11
IUPAC Namecyclohexane;cyclopenta-1,3-diene;cyclopentane;iron
SMILESC1CCCCC1.[Fe].[cH-]1[cH-][cH-][cH-][cH-]1.c1cc[cH-]c1
InChIInChI=1S/C6H12.2C5H5.Fe/c1-2-4-6-5-3-1;2*1-2-4-5-3-1;/h1-6H2;2*1-5H;/q;-5;-1;
InChIKeyCURWWLNVFIXEOA-UHFFFAOYSA-N
XLogP5.15
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500270.20
LogP ≤ 55.15
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 cyclohexane;cyclopenta-1,3-diene;cyclopentane;iron?
The IUPAC name of cyclohexane;cyclopenta-1,3-diene;cyclopentane;iron (CID 174474738) is cyclohexane;cyclopenta-1,3-diene;cyclopentane;iron.
What is the SMILES notation for cyclohexane;cyclopenta-1,3-diene;cyclopentane;iron?
The canonical SMILES for cyclohexane;cyclopenta-1,3-diene;cyclopentane;iron is C1CCCCC1.[Fe].[cH-]1[cH-][cH-][cH-][cH-]1.c1cc[cH-]c1.
What is the InChIKey of cyclohexane;cyclopenta-1,3-diene;cyclopentane;iron?
The InChIKey is CURWWLNVFIXEOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12.2C5H5.Fe/c1-2-4-6-5-3-1;2*1-2-4-5-3-1;/h1-6H2;2*1-5H;/q;-5;-1;.
What are the key properties of cyclohexane;cyclopenta-1,3-diene;cyclopentane;iron?
cyclohexane;cyclopenta-1,3-diene;cyclopentane;iron has a molecular weight of 270.20 g/mol, XLogP of 5.15, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohexane;cyclopenta-1,3-diene;cyclopentane;iron is sourced from PubChem (CID 174474738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).