5-ethyl-1-methylcyclopenta-1,3-diene;iron;methylcyclopentane

C14H18Fe-6 — CID 173240986

IUPAC5-ethyl-1-methylcyclopenta-1,3-diene;iron;methylcyclopentane
SMILESCC[c-]1cccc1C.C[c-]1[cH-][cH-][cH-][cH-]1.[Fe]
InChIInChI=1S/C8H11.C6H7.Fe/c1-3-8-6-4-5-7(8)2;1-6-4-2-3-5-6;/h4-6H,3H2,1-2H3;2-5H,1H3;/q-1;-5;
InChIKeyZWRHJNGQFMZZOG-UHFFFAOYSA-N
MW242.14 g/mol
LogP3.99
Rot. Bonds1

About 5-ethyl-1-methylcyclopenta-1,3-diene;iron;methylcyclopentane

5-ethyl-1-methylcyclopenta-1,3-diene;iron;methylcyclopentane (PubChem CID 173240986) has the molecular formula C14H18Fe-6 and a molecular weight of 242.14 g/mol. Its IUPAC name is 5-ethyl-1-methylcyclopenta-1,3-diene;iron;methylcyclopentane.

Molecular Properties

Compound Name5-ethyl-1-methylcyclopenta-1,3-diene;iron;methylcyclopentane
PubChem CID173240986
Molecular FormulaC14H18Fe-6
Molecular Weight242.14 g/mol
Exact Mass242.08
IUPAC Name5-ethyl-1-methylcyclopenta-1,3-diene;iron;methylcyclopentane
SMILESCC[c-]1cccc1C.C[c-]1[cH-][cH-][cH-][cH-]1.[Fe]
InChIInChI=1S/C8H11.C6H7.Fe/c1-3-8-6-4-5-7(8)2;1-6-4-2-3-5-6;/h4-6H,3H2,1-2H3;2-5H,1H3;/q-1;-5;
InChIKeyZWRHJNGQFMZZOG-UHFFFAOYSA-N
XLogP3.99
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.14
LogP ≤ 53.99
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

CID 172829400
CID 172829400
CID 172861353
CID 172861353
1,5-dimethylcyclopenta-1,3-diene;1,2-dimethylcyclopentane;iron
CID 173240550
cyclopentane;1,5-diethylcyclopenta-1,3-diene;manganese
CID 175107050
CID 172746450
CID 172746450
1-cyclopenta-2,4-dien-1-yl-N,N-dimethylmethanamine;iron;methylcyclopentane
CID 175522036
cyclopentane;(5-ethylcyclopenta-1,3-dien-1-yl)-diphenylphosphane;iron
CID 88769962
1,5-diethylcyclopenta-1,3-diene;iron;1,2,3-triethylcyclopentane
CID 173240726
cyclopenta-1,3-diene;cyclopentane;iron;1-methyl-5-[1-(2-methylcyclopenta-2,4-dien-1-yl)propyl]cyclopenta-1,3-diene
CID 174912786
bis(1,5-dimethylcyclopenta-1,3-diene);zirconium(4+);dibromide
CID 159332319
cyclopentane;iron;1,2,5-triethylcyclopenta-1,3-diene
CID 173320341
cyclopentane;1,5-dibutylcyclopenta-1,3-diene;iron
CID 173322079

Frequently Asked Questions

What is the IUPAC name of 5-ethyl-1-methylcyclopenta-1,3-diene;iron;methylcyclopentane?
The IUPAC name of 5-ethyl-1-methylcyclopenta-1,3-diene;iron;methylcyclopentane (CID 173240986) is 5-ethyl-1-methylcyclopenta-1,3-diene;iron;methylcyclopentane.
What is the SMILES notation for 5-ethyl-1-methylcyclopenta-1,3-diene;iron;methylcyclopentane?
The canonical SMILES for 5-ethyl-1-methylcyclopenta-1,3-diene;iron;methylcyclopentane is CC[c-]1cccc1C.C[c-]1[cH-][cH-][cH-][cH-]1.[Fe].
What is the InChIKey of 5-ethyl-1-methylcyclopenta-1,3-diene;iron;methylcyclopentane?
The InChIKey is ZWRHJNGQFMZZOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11.C6H7.Fe/c1-3-8-6-4-5-7(8)2;1-6-4-2-3-5-6;/h4-6H,3H2,1-2H3;2-5H,1H3;/q-1;-5;.
What are the key properties of 5-ethyl-1-methylcyclopenta-1,3-diene;iron;methylcyclopentane?
5-ethyl-1-methylcyclopenta-1,3-diene;iron;methylcyclopentane has a molecular weight of 242.14 g/mol, XLogP of 3.99, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-1-methylcyclopenta-1,3-diene;iron;methylcyclopentane is sourced from PubChem (CID 173240986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).