cyclopentane;iron;1,2,5-triethylcyclopenta-1,3-diene

C16H22Fe-6 — CID 173320341

IUPACcyclopentane;iron;1,2,5-triethylcyclopenta-1,3-diene
SMILESCCc1cc[c-](CC)c1CC.[Fe].[cH-]1[cH-][cH-][cH-][cH-]1
InChIInChI=1S/C11H17.C5H5.Fe/c1-4-9-7-8-10(5-2)11(9)6-3;1-2-4-5-3-1;/h7-8H,4-6H2,1-3H3;1-5H;/q-1;-5;
InChIKeyHZGVLIBDRVHJEA-UHFFFAOYSA-N
MW270.20 g/mol
LogP4.50
Rot. Bonds3

About cyclopentane;iron;1,2,5-triethylcyclopenta-1,3-diene

cyclopentane;iron;1,2,5-triethylcyclopenta-1,3-diene (PubChem CID 173320341) has the molecular formula C16H22Fe-6 and a molecular weight of 270.20 g/mol. Its IUPAC name is cyclopentane;iron;1,2,5-triethylcyclopenta-1,3-diene.

Molecular Properties

Compound Namecyclopentane;iron;1,2,5-triethylcyclopenta-1,3-diene
PubChem CID173320341
Molecular FormulaC16H22Fe-6
Molecular Weight270.20 g/mol
Exact Mass270.11
IUPAC Namecyclopentane;iron;1,2,5-triethylcyclopenta-1,3-diene
SMILESCCc1cc[c-](CC)c1CC.[Fe].[cH-]1[cH-][cH-][cH-][cH-]1
InChIInChI=1S/C11H17.C5H5.Fe/c1-4-9-7-8-10(5-2)11(9)6-3;1-2-4-5-3-1;/h7-8H,4-6H2,1-3H3;1-5H;/q-1;-5;
InChIKeyHZGVLIBDRVHJEA-UHFFFAOYSA-N
XLogP4.50
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.20
LogP ≤ 54.50
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;iron(2+);1,2,5-triethylcyclopenta-1,3-diene
CID 162248529
bromocyclopentane;1-bromo-2,5-diethylcyclopenta-1,3-diene;iron
CID 87718885
cyclopentane;1,5-diethylcyclopenta-1,3-diene;manganese
CID 175107050
2-cyclopenta-2,4-dien-1-yl-1,5-diethylcyclopenta-1,3-diene;dimethylsilylidenezirconium(2+);dichloride
CID 157266018
5-ethyl-1-methylcyclopenta-1,3-diene;iron;methylcyclopentane
CID 173240986
1,5-diethylcyclopenta-1,3-diene;iron;1,2,3-triethylcyclopentane
CID 173240726
cyclopenta-1,3-diene;iron(2+);1,2,4,5-tetraethylcyclopenta-1,3-diene
CID 162263056
1-ethylinden-1-ide;titanium;dihydrobromide
CID 174711611
1,2-dibutylcyclopenta-1,3-diene;iron(2+);1,2,5-tributylcyclopenta-1,3-diene
CID 158424496
iridium(3+);1,2,3,4,5-pentaethylcyclopenta-1,3-diene
CID 175918734
cyclopentane;1,5-dibutylcyclopenta-1,3-diene;iron
CID 173322079
1,2-diethylbenzene;hydrobromide
CID 174973685

Frequently Asked Questions

What is the IUPAC name of cyclopentane;iron;1,2,5-triethylcyclopenta-1,3-diene?
The IUPAC name of cyclopentane;iron;1,2,5-triethylcyclopenta-1,3-diene (CID 173320341) is cyclopentane;iron;1,2,5-triethylcyclopenta-1,3-diene.
What is the SMILES notation for cyclopentane;iron;1,2,5-triethylcyclopenta-1,3-diene?
The canonical SMILES for cyclopentane;iron;1,2,5-triethylcyclopenta-1,3-diene is CCc1cc[c-](CC)c1CC.[Fe].[cH-]1[cH-][cH-][cH-][cH-]1.
What is the InChIKey of cyclopentane;iron;1,2,5-triethylcyclopenta-1,3-diene?
The InChIKey is HZGVLIBDRVHJEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17.C5H5.Fe/c1-4-9-7-8-10(5-2)11(9)6-3;1-2-4-5-3-1;/h7-8H,4-6H2,1-3H3;1-5H;/q-1;-5;.
What are the key properties of cyclopentane;iron;1,2,5-triethylcyclopenta-1,3-diene?
cyclopentane;iron;1,2,5-triethylcyclopenta-1,3-diene has a molecular weight of 270.20 g/mol, XLogP of 4.50, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopentane;iron;1,2,5-triethylcyclopenta-1,3-diene is sourced from PubChem (CID 173320341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).