cyclopenta-1,3-diene;5-(2-cyclopenta-2,4-dien-1-yloctan-2-yl)cyclopenta-1,3-diene;cyclopentane;iron

C28H34Fe2-8 — CID 173056180

IUPACcyclopenta-1,3-diene;5-(2-cyclopenta-2,4-dien-1-yloctan-2-yl)cyclopenta-1,3-diene;cyclopentane;iron
SMILESCCCCCCC(C)([c-]1cccc1)[c-]1cccc1.[Fe].[Fe].[cH-]1[cH-][cH-][cH-][cH-]1.c1cc[cH-]c1
InChIInChI=1S/C18H24.2C5H5.2Fe/c1-3-4-5-10-15-18(2,16-11-6-7-12-16)17-13-8-9-14-17;2*1-2-4-5-3-1;;/h6-9,11-14H,3-5,10,15H2,1-2H3;2*1-5H;;/q-2;-5;-1;;
InChIKeyKUZBPFFAHKMGSM-UHFFFAOYSA-N
MW482.27 g/mol
LogP8.21
Rot. Bonds7

About cyclopenta-1,3-diene;5-(2-cyclopenta-2,4-dien-1-yloctan-2-yl)cyclopenta-1,3-diene;cyclopentane;iron

cyclopenta-1,3-diene;5-(2-cyclopenta-2,4-dien-1-yloctan-2-yl)cyclopenta-1,3-diene;cyclopentane;iron (PubChem CID 173056180) has the molecular formula C28H34Fe2-8 and a molecular weight of 482.27 g/mol. Its IUPAC name is cyclopenta-1,3-diene;5-(2-cyclopenta-2,4-dien-1-yloctan-2-yl)cyclopenta-1,3-diene;cyclopentane;iron.

Molecular Properties

Compound Namecyclopenta-1,3-diene;5-(2-cyclopenta-2,4-dien-1-yloctan-2-yl)cyclopenta-1,3-diene;cyclopentane;iron
PubChem CID173056180
Molecular FormulaC28H34Fe2-8
Molecular Weight482.27 g/mol
Exact Mass482.14
IUPAC Namecyclopenta-1,3-diene;5-(2-cyclopenta-2,4-dien-1-yloctan-2-yl)cyclopenta-1,3-diene;cyclopentane;iron
SMILESCCCCCCC(C)([c-]1cccc1)[c-]1cccc1.[Fe].[Fe].[cH-]1[cH-][cH-][cH-][cH-]1.c1cc[cH-]c1
InChIInChI=1S/C18H24.2C5H5.2Fe/c1-3-4-5-10-15-18(2,16-11-6-7-12-16)17-13-8-9-14-17;2*1-2-4-5-3-1;;/h6-9,11-14H,3-5,10,15H2,1-2H3;2*1-5H;;/q-2;-5;-1;;
InChIKeyKUZBPFFAHKMGSM-UHFFFAOYSA-N
XLogP8.21
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500482.27
LogP ≤ 58.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'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 cyclopenta-1,3-diene;5-(2-cyclopenta-2,4-dien-1-yloctan-2-yl)cyclopenta-1,3-diene;cyclopentane;iron?
The IUPAC name of cyclopenta-1,3-diene;5-(2-cyclopenta-2,4-dien-1-yloctan-2-yl)cyclopenta-1,3-diene;cyclopentane;iron (CID 173056180) is cyclopenta-1,3-diene;5-(2-cyclopenta-2,4-dien-1-yloctan-2-yl)cyclopenta-1,3-diene;cyclopentane;iron.
What is the SMILES notation for cyclopenta-1,3-diene;5-(2-cyclopenta-2,4-dien-1-yloctan-2-yl)cyclopenta-1,3-diene;cyclopentane;iron?
The canonical SMILES for cyclopenta-1,3-diene;5-(2-cyclopenta-2,4-dien-1-yloctan-2-yl)cyclopenta-1,3-diene;cyclopentane;iron is CCCCCCC(C)([c-]1cccc1)[c-]1cccc1.[Fe].[Fe].[cH-]1[cH-][cH-][cH-][cH-]1.c1cc[cH-]c1.
What is the InChIKey of cyclopenta-1,3-diene;5-(2-cyclopenta-2,4-dien-1-yloctan-2-yl)cyclopenta-1,3-diene;cyclopentane;iron?
The InChIKey is KUZBPFFAHKMGSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24.2C5H5.2Fe/c1-3-4-5-10-15-18(2,16-11-6-7-12-16)17-13-8-9-14-17;2*1-2-4-5-3-1;;/h6-9,11-14H,3-5,10,15H2,1-2H3;2*1-5H;;/q-2;-5;-1;;.
What are the key properties of cyclopenta-1,3-diene;5-(2-cyclopenta-2,4-dien-1-yloctan-2-yl)cyclopenta-1,3-diene;cyclopentane;iron?
cyclopenta-1,3-diene;5-(2-cyclopenta-2,4-dien-1-yloctan-2-yl)cyclopenta-1,3-diene;cyclopentane;iron has a molecular weight of 482.27 g/mol, XLogP of 8.21, 7 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopenta-1,3-diene;5-(2-cyclopenta-2,4-dien-1-yloctan-2-yl)cyclopenta-1,3-diene;cyclopentane;iron is sourced from PubChem (CID 173056180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).