cobalt;2-cyclopenta-1,3-dien-1-ylcyclohexa-1,3-diene

C11H11Co- — CID 173149174

IUPACcobalt;2-cyclopenta-1,3-dien-1-ylcyclohexa-1,3-diene
SMILES[C-]1=C(C2=CC=CC2)C=CCC1.[Co]
InChIInChI=1S/C11H11.Co/c1-2-6-10(7-3-1)11-8-4-5-9-11;/h2,4-6,8H,1,3,9H2;/q-1;
InChIKeyTYZYCHCEQYTWBB-UHFFFAOYSA-N
MW202.14 g/mol
LogP2.95
Rot. Bonds1

About cobalt;2-cyclopenta-1,3-dien-1-ylcyclohexa-1,3-diene

cobalt;2-cyclopenta-1,3-dien-1-ylcyclohexa-1,3-diene (PubChem CID 173149174) has the molecular formula C11H11Co- and a molecular weight of 202.14 g/mol. Its IUPAC name is cobalt;2-cyclopenta-1,3-dien-1-ylcyclohexa-1,3-diene.

Molecular Properties

Compound Namecobalt;2-cyclopenta-1,3-dien-1-ylcyclohexa-1,3-diene
PubChem CID173149174
Molecular FormulaC11H11Co-
Molecular Weight202.14 g/mol
Exact Mass202.02
IUPAC Namecobalt;2-cyclopenta-1,3-dien-1-ylcyclohexa-1,3-diene
SMILES[C-]1=C(C2=CC=CC2)C=CCC1.[Co]
InChIInChI=1S/C11H11.Co/c1-2-6-10(7-3-1)11-8-4-5-9-11;/h2,4-6,8H,1,3,9H2;/q-1;
InChIKeyTYZYCHCEQYTWBB-UHFFFAOYSA-N
XLogP2.95
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.14
LogP ≤ 52.95
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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Frequently Asked Questions

What is the IUPAC name of cobalt;2-cyclopenta-1,3-dien-1-ylcyclohexa-1,3-diene?
The IUPAC name of cobalt;2-cyclopenta-1,3-dien-1-ylcyclohexa-1,3-diene (CID 173149174) is cobalt;2-cyclopenta-1,3-dien-1-ylcyclohexa-1,3-diene.
What is the SMILES notation for cobalt;2-cyclopenta-1,3-dien-1-ylcyclohexa-1,3-diene?
The canonical SMILES for cobalt;2-cyclopenta-1,3-dien-1-ylcyclohexa-1,3-diene is [C-]1=C(C2=CC=CC2)C=CCC1.[Co].
What is the InChIKey of cobalt;2-cyclopenta-1,3-dien-1-ylcyclohexa-1,3-diene?
The InChIKey is TYZYCHCEQYTWBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11.Co/c1-2-6-10(7-3-1)11-8-4-5-9-11;/h2,4-6,8H,1,3,9H2;/q-1;.
What are the key properties of cobalt;2-cyclopenta-1,3-dien-1-ylcyclohexa-1,3-diene?
cobalt;2-cyclopenta-1,3-dien-1-ylcyclohexa-1,3-diene has a molecular weight of 202.14 g/mol, XLogP of 2.95, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for cobalt;2-cyclopenta-1,3-dien-1-ylcyclohexa-1,3-diene is sourced from PubChem (CID 173149174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).