cyclopenta-1,3-diene;cyclopentane;iron;1-methyl-5-[1-(2-methylcyclopenta-2,4-dien-1-yl)propyl]cyclopenta-1,3-diene

C25H28Fe2-8 — CID 174912786

IUPACcyclopenta-1,3-diene;cyclopentane;iron;1-methyl-5-[1-(2-methylcyclopenta-2,4-dien-1-yl)propyl]cyclopenta-1,3-diene
SMILESCCC([c-]1cccc1C)[c-]1cccc1C.[Fe].[Fe].[cH-]1[cH-][cH-][cH-][cH-]1.c1cc[cH-]c1
InChIInChI=1S/C15H18.2C5H5.2Fe/c1-4-13(14-9-5-7-11(14)2)15-10-6-8-12(15)3;2*1-2-4-5-3-1;;/h5-10,13H,4H2,1-3H3;2*1-5H;;/q-2;-5;-1;;
InChIKeyRIDVOWOLTWBADL-UHFFFAOYSA-N
MW440.19 g/mol
LogP7.09
Rot. Bonds3

About cyclopenta-1,3-diene;cyclopentane;iron;1-methyl-5-[1-(2-methylcyclopenta-2,4-dien-1-yl)propyl]cyclopenta-1,3-diene

cyclopenta-1,3-diene;cyclopentane;iron;1-methyl-5-[1-(2-methylcyclopenta-2,4-dien-1-yl)propyl]cyclopenta-1,3-diene (PubChem CID 174912786) has the molecular formula C25H28Fe2-8 and a molecular weight of 440.19 g/mol. Its IUPAC name is cyclopenta-1,3-diene;cyclopentane;iron;1-methyl-5-[1-(2-methylcyclopenta-2,4-dien-1-yl)propyl]cyclopenta-1,3-diene.

Molecular Properties

Compound Namecyclopenta-1,3-diene;cyclopentane;iron;1-methyl-5-[1-(2-methylcyclopenta-2,4-dien-1-yl)propyl]cyclopenta-1,3-diene
PubChem CID174912786
Molecular FormulaC25H28Fe2-8
Molecular Weight440.19 g/mol
Exact Mass440.09
IUPAC Namecyclopenta-1,3-diene;cyclopentane;iron;1-methyl-5-[1-(2-methylcyclopenta-2,4-dien-1-yl)propyl]cyclopenta-1,3-diene
SMILESCCC([c-]1cccc1C)[c-]1cccc1C.[Fe].[Fe].[cH-]1[cH-][cH-][cH-][cH-]1.c1cc[cH-]c1
InChIInChI=1S/C15H18.2C5H5.2Fe/c1-4-13(14-9-5-7-11(14)2)15-10-6-8-12(15)3;2*1-2-4-5-3-1;;/h5-10,13H,4H2,1-3H3;2*1-5H;;/q-2;-5;-1;;
InChIKeyRIDVOWOLTWBADL-UHFFFAOYSA-N
XLogP7.09
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500440.19
LogP ≤ 57.09
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;1,5-dimethylcyclopenta-1,3-diene;silylidenezirconium(2+);dibromide
CID 157432095
cyclopenta-1,3-diene;1,5-dimethylcyclopenta-1,3-diene;methanolate;silylidenezirconium(2+)
CID 158954665
5-ethyl-1-methylcyclopenta-1,3-diene;iron;methylcyclopentane
CID 173240986
N-[1-[2-[1-(tert-butylamino)propyl]cyclopenta-2,4-dien-1-yl]propyl]-2-methylpropan-2-amine;cyclopentane;iron
CID 174059779
cyclopenta-1,3-diene;cyclopentane;iron;hydrofluoride
CID 175426110
5-[(1S)-1-azidoethyl]-1-iodocyclopenta-1,3-diene;cyclopenta-1,3-diene;iron(2+)
CID 139251617
CID 160550047
CID 160550047
cyclopenta-1,3-diene;iron(2+);(2-propylcyclopenta-2,4-dien-1-yl)methanol
CID 146026361
alumane;cyclopenta-1,3-diene;cyclopentane;iron;hydrochloride
CID 173320155
magnesium;cyclopenta-1,3-diene;cyclopentane;hydride;iron
CID 173382840
cyclopenta-1,3-diene;cyclopentane;tantalum dihydride
CID 11984734
cyclopenta-1,3-diene;cyclopentane;1,2,3,4,5-pentamethylcyclopenta-1,3-diene;titanium
CID 11986884

Frequently Asked Questions

What is the IUPAC name of cyclopenta-1,3-diene;cyclopentane;iron;1-methyl-5-[1-(2-methylcyclopenta-2,4-dien-1-yl)propyl]cyclopenta-1,3-diene?
The IUPAC name of cyclopenta-1,3-diene;cyclopentane;iron;1-methyl-5-[1-(2-methylcyclopenta-2,4-dien-1-yl)propyl]cyclopenta-1,3-diene (CID 174912786) is cyclopenta-1,3-diene;cyclopentane;iron;1-methyl-5-[1-(2-methylcyclopenta-2,4-dien-1-yl)propyl]cyclopenta-1,3-diene.
What is the SMILES notation for cyclopenta-1,3-diene;cyclopentane;iron;1-methyl-5-[1-(2-methylcyclopenta-2,4-dien-1-yl)propyl]cyclopenta-1,3-diene?
The canonical SMILES for cyclopenta-1,3-diene;cyclopentane;iron;1-methyl-5-[1-(2-methylcyclopenta-2,4-dien-1-yl)propyl]cyclopenta-1,3-diene is CCC([c-]1cccc1C)[c-]1cccc1C.[Fe].[Fe].[cH-]1[cH-][cH-][cH-][cH-]1.c1cc[cH-]c1.
What is the InChIKey of cyclopenta-1,3-diene;cyclopentane;iron;1-methyl-5-[1-(2-methylcyclopenta-2,4-dien-1-yl)propyl]cyclopenta-1,3-diene?
The InChIKey is RIDVOWOLTWBADL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18.2C5H5.2Fe/c1-4-13(14-9-5-7-11(14)2)15-10-6-8-12(15)3;2*1-2-4-5-3-1;;/h5-10,13H,4H2,1-3H3;2*1-5H;;/q-2;-5;-1;;.
What are the key properties of cyclopenta-1,3-diene;cyclopentane;iron;1-methyl-5-[1-(2-methylcyclopenta-2,4-dien-1-yl)propyl]cyclopenta-1,3-diene?
cyclopenta-1,3-diene;cyclopentane;iron;1-methyl-5-[1-(2-methylcyclopenta-2,4-dien-1-yl)propyl]cyclopenta-1,3-diene has a molecular weight of 440.19 g/mol, XLogP of 7.09, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopenta-1,3-diene;cyclopentane;iron;1-methyl-5-[1-(2-methylcyclopenta-2,4-dien-1-yl)propyl]cyclopenta-1,3-diene is sourced from PubChem (CID 174912786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).