cobalt(2+);cycloocta-1,3-diene;penta-1,3-diene

C13H18Co — CID 151800082

IUPACcobalt(2+);cycloocta-1,3-diene;penta-1,3-diene
SMILES[C-]1=C\C=CCCCC/1.[Co+2].[H]/[C-]=C\C=CC
InChIInChI=1S/C8H11.C5H7.Co/c1-2-4-6-8-7-5-3-1;1-3-5-4-2;/h1-3H,4,6-8H2;1,3-5H,2H3;/q2*-1;+2
InChIKeyRYKRZAZIMFQZMW-UHFFFAOYSA-N
MW233.22 g/mol
LogP4.03
Rot. Bonds1

About cobalt(2+);cycloocta-1,3-diene;penta-1,3-diene

cobalt(2+);cycloocta-1,3-diene;penta-1,3-diene (PubChem CID 151800082) has the molecular formula C13H18Co and a molecular weight of 233.22 g/mol. Its IUPAC name is cobalt(2+);cycloocta-1,3-diene;penta-1,3-diene.

Molecular Properties

Compound Namecobalt(2+);cycloocta-1,3-diene;penta-1,3-diene
PubChem CID151800082
Molecular FormulaC13H18Co
Molecular Weight233.22 g/mol
Exact Mass233.07
IUPAC Namecobalt(2+);cycloocta-1,3-diene;penta-1,3-diene
SMILES[C-]1=C\C=CCCCC/1.[Co+2].[H]/[C-]=C\C=CC
InChIInChI=1S/C8H11.C5H7.Co/c1-2-4-6-8-7-5-3-1;1-3-5-4-2;/h1-3H,4,6-8H2;1,3-5H,2H3;/q2*-1;+2
InChIKeyRYKRZAZIMFQZMW-UHFFFAOYSA-N
XLogP4.03
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.22
LogP ≤ 54.03
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+);cycloocta-1,3-diene;penta-1,3-diene?
The IUPAC name of cobalt(2+);cycloocta-1,3-diene;penta-1,3-diene (CID 151800082) is cobalt(2+);cycloocta-1,3-diene;penta-1,3-diene.
What is the SMILES notation for cobalt(2+);cycloocta-1,3-diene;penta-1,3-diene?
The canonical SMILES for cobalt(2+);cycloocta-1,3-diene;penta-1,3-diene is [C-]1=C\C=CCCCC/1.[Co+2].[H]/[C-]=C\C=CC.
What is the InChIKey of cobalt(2+);cycloocta-1,3-diene;penta-1,3-diene?
The InChIKey is RYKRZAZIMFQZMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11.C5H7.Co/c1-2-4-6-8-7-5-3-1;1-3-5-4-2;/h1-3H,4,6-8H2;1,3-5H,2H3;/q2*-1;+2.
What are the key properties of cobalt(2+);cycloocta-1,3-diene;penta-1,3-diene?
cobalt(2+);cycloocta-1,3-diene;penta-1,3-diene has a molecular weight of 233.22 g/mol, XLogP of 4.03, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for cobalt(2+);cycloocta-1,3-diene;penta-1,3-diene is sourced from PubChem (CID 151800082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).