cobalt;tris(cyclopenta-1,3-diene);1-methylcyclopenta-1,3-diene

C21H22Co4-4 — CID 158473034

IUPACcobalt;tris(cyclopenta-1,3-diene);1-methylcyclopenta-1,3-diene
SMILESCc1ccc[cH-]1.[Co].[Co].[Co].[Co].c1cc[cH-]c1.c1cc[cH-]c1.c1cc[cH-]c1
InChIInChI=1S/C6H7.3C5H5.4Co/c1-6-4-2-3-5-6;3*1-2-4-5-3-1;;;;/h2-5H,1H3;3*1-5H;;;;/q4*-1;;;;
InChIKeyHHNAIYHQENQVNF-UHFFFAOYSA-N
MW510.14 g/mol
LogP5.92
Rot. Bonds

About cobalt;tris(cyclopenta-1,3-diene);1-methylcyclopenta-1,3-diene

cobalt;tris(cyclopenta-1,3-diene);1-methylcyclopenta-1,3-diene (PubChem CID 158473034) has the molecular formula C21H22Co4-4 and a molecular weight of 510.14 g/mol. Its IUPAC name is cobalt;tris(cyclopenta-1,3-diene);1-methylcyclopenta-1,3-diene.

Molecular Properties

Compound Namecobalt;tris(cyclopenta-1,3-diene);1-methylcyclopenta-1,3-diene
PubChem CID158473034
Molecular FormulaC21H22Co4-4
Molecular Weight510.14 g/mol
Exact Mass509.91
IUPAC Namecobalt;tris(cyclopenta-1,3-diene);1-methylcyclopenta-1,3-diene
SMILESCc1ccc[cH-]1.[Co].[Co].[Co].[Co].c1cc[cH-]c1.c1cc[cH-]c1.c1cc[cH-]c1
InChIInChI=1S/C6H7.3C5H5.4Co/c1-6-4-2-3-5-6;3*1-2-4-5-3-1;;;;/h2-5H,1H3;3*1-5H;;;;/q4*-1;;;;
InChIKeyHHNAIYHQENQVNF-UHFFFAOYSA-N
XLogP5.92
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms25
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500510.14
LogP ≤ 55.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}

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Related Compounds

chromium(2+);bis(1-methylcyclopenta-1,3-diene)
CID 160665189
bis(1-methylcyclopenta-1,3-diene);zirconium(2+)
CID 131719615
carbanide;bis(cyclopenta-1,3-diene);1-ethylcyclopenta-1,3-diene;bis(iron(4+));methane;1-methylcyclopenta-1,3-diene
CID 158519657
carbon monoxide;hydride;1-methylcyclopenta-1,3-diene;tungsten(2+)
CID 134694826
azanide;carbon monoxide;cyclopenta-1,3-diene;iron;iron(2+);manganese(3+);bis(1-methylcyclopenta-1,3-diene);nitroxyl anion;tetraphenylboranuide
CID 139264509
cobalt;cyclopenta-1,3-diene
CID 25199992
chromium;cyclopenta-1,3-diene;1,2,3,4,5,6-hexamethylbenzene
CID 624342
1-bromocyclopenta-1,3-diene;cyclopenta-1,3-diene;iron
CID 57369550
cyclopenta-1,3-diene;iron(2+);1-prop-1-ynylcyclopenta-1,3-diene
CID 160569837
cyclopenta-1,3-diene;tris(dimethylazanide);zirconium(4+)
CID 75124254
cyclopenta-1,3-diene;iron(2+);N-propan-2-ylcyclopenta-1,3-dien-1-amine
CID 172826783
1-butylcyclopenta-1,3-diene;cyclopenta-1,3-diene;iron(2+)
CID 15818168

Frequently Asked Questions

What is the IUPAC name of cobalt;tris(cyclopenta-1,3-diene);1-methylcyclopenta-1,3-diene?
The IUPAC name of cobalt;tris(cyclopenta-1,3-diene);1-methylcyclopenta-1,3-diene (CID 158473034) is cobalt;tris(cyclopenta-1,3-diene);1-methylcyclopenta-1,3-diene.
What is the SMILES notation for cobalt;tris(cyclopenta-1,3-diene);1-methylcyclopenta-1,3-diene?
The canonical SMILES for cobalt;tris(cyclopenta-1,3-diene);1-methylcyclopenta-1,3-diene is Cc1ccc[cH-]1.[Co].[Co].[Co].[Co].c1cc[cH-]c1.c1cc[cH-]c1.c1cc[cH-]c1.
What is the InChIKey of cobalt;tris(cyclopenta-1,3-diene);1-methylcyclopenta-1,3-diene?
The InChIKey is HHNAIYHQENQVNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7.3C5H5.4Co/c1-6-4-2-3-5-6;3*1-2-4-5-3-1;;;;/h2-5H,1H3;3*1-5H;;;;/q4*-1;;;;.
What are the key properties of cobalt;tris(cyclopenta-1,3-diene);1-methylcyclopenta-1,3-diene?
cobalt;tris(cyclopenta-1,3-diene);1-methylcyclopenta-1,3-diene has a molecular weight of 510.14 g/mol, XLogP of 5.92, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for cobalt;tris(cyclopenta-1,3-diene);1-methylcyclopenta-1,3-diene is sourced from PubChem (CID 158473034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).