carbonyl diiodide;cobalt;(5Z)-cycloocta-1,5-diene

C9H12CoI2O — CID 173095327

IUPACcarbonyl diiodide;cobalt;(5Z)-cycloocta-1,5-diene
SMILESC1=CCC/C=C\CC1.O=C(I)I.[Co]
InChIInChI=1S/C8H12.CI2O.Co/c1-2-4-6-8-7-5-3-1;2-1(3)4;/h1-2,7-8H,3-6H2;;/b2-1-,8-7?;;
InChIKeyBJGTWFGHPPVNNZ-RPMSXJIWSA-N
MW448.94 g/mol
LogP4.65
Rot. Bonds

About carbonyl diiodide;cobalt;(5Z)-cycloocta-1,5-diene

carbonyl diiodide;cobalt;(5Z)-cycloocta-1,5-diene (PubChem CID 173095327) has the molecular formula C9H12CoI2O and a molecular weight of 448.94 g/mol. Its IUPAC name is carbonyl diiodide;cobalt;(5Z)-cycloocta-1,5-diene.

Molecular Properties

Compound Namecarbonyl diiodide;cobalt;(5Z)-cycloocta-1,5-diene
PubChem CID173095327
Molecular FormulaC9H12CoI2O
Molecular Weight448.94 g/mol
Exact Mass448.83
IUPAC Namecarbonyl diiodide;cobalt;(5Z)-cycloocta-1,5-diene
SMILESC1=CCC/C=C\CC1.O=C(I)I.[Co]
InChIInChI=1S/C8H12.CI2O.Co/c1-2-4-6-8-7-5-3-1;2-1(3)4;/h1-2,7-8H,3-6H2;;/b2-1-,8-7?;;
InChIKeyBJGTWFGHPPVNNZ-RPMSXJIWSA-N
XLogP4.65
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500448.94
LogP ≤ 54.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acid_halide', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of carbonyl diiodide;cobalt;(5Z)-cycloocta-1,5-diene?
The IUPAC name of carbonyl diiodide;cobalt;(5Z)-cycloocta-1,5-diene (CID 173095327) is carbonyl diiodide;cobalt;(5Z)-cycloocta-1,5-diene.
What is the SMILES notation for carbonyl diiodide;cobalt;(5Z)-cycloocta-1,5-diene?
The canonical SMILES for carbonyl diiodide;cobalt;(5Z)-cycloocta-1,5-diene is C1=CCC/C=C\CC1.O=C(I)I.[Co].
What is the InChIKey of carbonyl diiodide;cobalt;(5Z)-cycloocta-1,5-diene?
The InChIKey is BJGTWFGHPPVNNZ-RPMSXJIWSA-N. The full InChI is InChI=1S/C8H12.CI2O.Co/c1-2-4-6-8-7-5-3-1;2-1(3)4;/h1-2,7-8H,3-6H2;;/b2-1-,8-7?;;.
What are the key properties of carbonyl diiodide;cobalt;(5Z)-cycloocta-1,5-diene?
carbonyl diiodide;cobalt;(5Z)-cycloocta-1,5-diene has a molecular weight of 448.94 g/mol, XLogP of 4.65, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for carbonyl diiodide;cobalt;(5Z)-cycloocta-1,5-diene is sourced from PubChem (CID 173095327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).