carbon monoxide;cobalt;2-hexylcyclohexan-1-one

C18H22Co2O7 — CID 134877528

IUPACcarbon monoxide;cobalt;2-hexylcyclohexan-1-one
SMILESCCCCCCC1CCCCC1=O.[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[Co].[Co]
InChIInChI=1S/C12H22O.6CO.2Co/c1-2-3-4-5-8-11-9-6-7-10-12(11)13;6*1-2;;/h11H,2-10H2,1H3;;;;;;;;
InChIKeyNARXZNXNEJCFNX-UHFFFAOYSA-N
MW468.23 g/mol
LogP3.49
Rot. Bonds5

About carbon monoxide;cobalt;2-hexylcyclohexan-1-one

carbon monoxide;cobalt;2-hexylcyclohexan-1-one (PubChem CID 134877528) has the molecular formula C18H22Co2O7 and a molecular weight of 468.23 g/mol. Its IUPAC name is carbon monoxide;cobalt;2-hexylcyclohexan-1-one.

Molecular Properties

Compound Namecarbon monoxide;cobalt;2-hexylcyclohexan-1-one
PubChem CID134877528
Molecular FormulaC18H22Co2O7
Molecular Weight468.23 g/mol
Exact Mass468.00
IUPAC Namecarbon monoxide;cobalt;2-hexylcyclohexan-1-one
SMILESCCCCCCC1CCCCC1=O.[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[Co].[Co]
InChIInChI=1S/C12H22O.6CO.2Co/c1-2-3-4-5-8-11-9-6-7-10-12(11)13;6*1-2;;/h11H,2-10H2,1H3;;;;;;;;
InChIKeyNARXZNXNEJCFNX-UHFFFAOYSA-N
XLogP3.49
TPSA136.47 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500468.23
LogP ≤ 53.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of carbon monoxide;cobalt;2-hexylcyclohexan-1-one?
The IUPAC name of carbon monoxide;cobalt;2-hexylcyclohexan-1-one (CID 134877528) is carbon monoxide;cobalt;2-hexylcyclohexan-1-one.
What is the SMILES notation for carbon monoxide;cobalt;2-hexylcyclohexan-1-one?
The canonical SMILES for carbon monoxide;cobalt;2-hexylcyclohexan-1-one is CCCCCCC1CCCCC1=O.[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[Co].[Co].
What is the InChIKey of carbon monoxide;cobalt;2-hexylcyclohexan-1-one?
The InChIKey is NARXZNXNEJCFNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22O.6CO.2Co/c1-2-3-4-5-8-11-9-6-7-10-12(11)13;6*1-2;;/h11H,2-10H2,1H3;;;;;;;;.
What are the key properties of carbon monoxide;cobalt;2-hexylcyclohexan-1-one?
carbon monoxide;cobalt;2-hexylcyclohexan-1-one has a molecular weight of 468.23 g/mol, XLogP of 3.49, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for carbon monoxide;cobalt;2-hexylcyclohexan-1-one is sourced from PubChem (CID 134877528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).