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

C18H18Fe-6 — CID 173066360

IUPACcyclopenta-1,3-diene;cyclopentane;iron;styrene
SMILESC=Cc1ccccc1.[Fe].[cH-]1[cH-][cH-][cH-][cH-]1.c1cc[cH-]c1
InChIInChI=1S/C8H8.2C5H5.Fe/c1-2-8-6-4-3-5-7-8;2*1-2-4-5-3-1;/h2-7H,1H2;2*1-5H;/q;-5;-1;
InChIKeyDLOJFDWUJHEHGW-UHFFFAOYSA-N
MW290.19 g/mol
LogP5.14
Rot. Bonds1

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

cyclopenta-1,3-diene;cyclopentane;iron;styrene (PubChem CID 173066360) has the molecular formula C18H18Fe-6 and a molecular weight of 290.19 g/mol. Its IUPAC name is cyclopenta-1,3-diene;cyclopentane;iron;styrene.

Molecular Properties

Compound Namecyclopenta-1,3-diene;cyclopentane;iron;styrene
PubChem CID173066360
Molecular FormulaC18H18Fe-6
Molecular Weight290.19 g/mol
Exact Mass290.08
IUPAC Namecyclopenta-1,3-diene;cyclopentane;iron;styrene
SMILESC=Cc1ccccc1.[Fe].[cH-]1[cH-][cH-][cH-][cH-]1.c1cc[cH-]c1
InChIInChI=1S/C8H8.2C5H5.Fe/c1-2-8-6-4-3-5-7-8;2*1-2-4-5-3-1;/h2-7H,1H2;2*1-5H;/q;-5;-1;
InChIKeyDLOJFDWUJHEHGW-UHFFFAOYSA-N
XLogP5.14
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500290.19
LogP ≤ 55.14
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 cyclopenta-1,3-diene;cyclopentane;iron;styrene?
The IUPAC name of cyclopenta-1,3-diene;cyclopentane;iron;styrene (CID 173066360) is cyclopenta-1,3-diene;cyclopentane;iron;styrene.
What is the SMILES notation for cyclopenta-1,3-diene;cyclopentane;iron;styrene?
The canonical SMILES for cyclopenta-1,3-diene;cyclopentane;iron;styrene is C=Cc1ccccc1.[Fe].[cH-]1[cH-][cH-][cH-][cH-]1.c1cc[cH-]c1.
What is the InChIKey of cyclopenta-1,3-diene;cyclopentane;iron;styrene?
The InChIKey is DLOJFDWUJHEHGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8.2C5H5.Fe/c1-2-8-6-4-3-5-7-8;2*1-2-4-5-3-1;/h2-7H,1H2;2*1-5H;/q;-5;-1;.
What are the key properties of cyclopenta-1,3-diene;cyclopentane;iron;styrene?
cyclopenta-1,3-diene;cyclopentane;iron;styrene has a molecular weight of 290.19 g/mol, XLogP of 5.14, 1 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;styrene is sourced from PubChem (CID 173066360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).