cobalt(2+);cyclopenta-1,3-diene;hexa-1,3-diene

C11H14Co — CID 140531419

IUPACcobalt(2+);cyclopenta-1,3-diene;hexa-1,3-diene
SMILES[C-]1=CC=CC1.[Co+2].[H]/[C-]=C\C=CCC
InChIInChI=1S/C6H9.C5H5.Co/c1-3-5-6-4-2;1-2-4-5-3-1;/h1,3,5-6H,4H2,2H3;1-3H,4H2;/q2*-1;+2
InChIKeyXRUSTYWLDMOSSL-UHFFFAOYSA-N
MW205.17 g/mol
LogP3.24
Rot. Bonds2

About cobalt(2+);cyclopenta-1,3-diene;hexa-1,3-diene

cobalt(2+);cyclopenta-1,3-diene;hexa-1,3-diene (PubChem CID 140531419) has the molecular formula C11H14Co and a molecular weight of 205.17 g/mol. Its IUPAC name is cobalt(2+);cyclopenta-1,3-diene;hexa-1,3-diene.

Molecular Properties

Compound Namecobalt(2+);cyclopenta-1,3-diene;hexa-1,3-diene
PubChem CID140531419
Molecular FormulaC11H14Co
Molecular Weight205.17 g/mol
Exact Mass205.04
IUPAC Namecobalt(2+);cyclopenta-1,3-diene;hexa-1,3-diene
SMILES[C-]1=CC=CC1.[Co+2].[H]/[C-]=C\C=CCC
InChIInChI=1S/C6H9.C5H5.Co/c1-3-5-6-4-2;1-2-4-5-3-1;/h1,3,5-6H,4H2,2H3;1-3H,4H2;/q2*-1;+2
InChIKeyXRUSTYWLDMOSSL-UHFFFAOYSA-N
XLogP3.24
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.17
LogP ≤ 53.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of cobalt(2+);cyclopenta-1,3-diene;hexa-1,3-diene?
The IUPAC name of cobalt(2+);cyclopenta-1,3-diene;hexa-1,3-diene (CID 140531419) is cobalt(2+);cyclopenta-1,3-diene;hexa-1,3-diene.
What is the SMILES notation for cobalt(2+);cyclopenta-1,3-diene;hexa-1,3-diene?
The canonical SMILES for cobalt(2+);cyclopenta-1,3-diene;hexa-1,3-diene is [C-]1=CC=CC1.[Co+2].[H]/[C-]=C\C=CCC.
What is the InChIKey of cobalt(2+);cyclopenta-1,3-diene;hexa-1,3-diene?
The InChIKey is XRUSTYWLDMOSSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9.C5H5.Co/c1-3-5-6-4-2;1-2-4-5-3-1;/h1,3,5-6H,4H2,2H3;1-3H,4H2;/q2*-1;+2.
What are the key properties of cobalt(2+);cyclopenta-1,3-diene;hexa-1,3-diene?
cobalt(2+);cyclopenta-1,3-diene;hexa-1,3-diene has a molecular weight of 205.17 g/mol, XLogP of 3.24, 2 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-diene;hexa-1,3-diene is sourced from PubChem (CID 140531419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).