carbon monoxide;cobalt;2-(3-ethynyl-3-methylcyclobutyl)ethylbenzene

C21H18Co2O6 — CID 11123722

IUPACcarbon monoxide;cobalt;2-(3-ethynyl-3-methylcyclobutyl)ethylbenzene
SMILESC#CC1(C)CC(CCc2ccccc2)C1.[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[Co].[Co]
InChIInChI=1S/C15H18.6CO.2Co/c1-3-15(2)11-14(12-15)10-9-13-7-5-4-6-8-13;6*1-2;;/h1,4-8,14H,9-12H2,2H3;;;;;;;;
InChIKeyGZONGQPSVKGZHS-UHFFFAOYSA-N
MW484.24 g/mol
LogP3.44
Rot. Bonds3

About carbon monoxide;cobalt;2-(3-ethynyl-3-methylcyclobutyl)ethylbenzene

carbon monoxide;cobalt;2-(3-ethynyl-3-methylcyclobutyl)ethylbenzene (PubChem CID 11123722) has the molecular formula C21H18Co2O6 and a molecular weight of 484.24 g/mol. Its IUPAC name is carbon monoxide;cobalt;2-(3-ethynyl-3-methylcyclobutyl)ethylbenzene.

Molecular Properties

Compound Namecarbon monoxide;cobalt;2-(3-ethynyl-3-methylcyclobutyl)ethylbenzene
PubChem CID11123722
Molecular FormulaC21H18Co2O6
Molecular Weight484.24 g/mol
Exact Mass483.98
IUPAC Namecarbon monoxide;cobalt;2-(3-ethynyl-3-methylcyclobutyl)ethylbenzene
SMILESC#CC1(C)CC(CCc2ccccc2)C1.[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[Co].[Co]
InChIInChI=1S/C15H18.6CO.2Co/c1-3-15(2)11-14(12-15)10-9-13-7-5-4-6-8-13;6*1-2;;/h1,4-8,14H,9-12H2,2H3;;;;;;;;
InChIKeyGZONGQPSVKGZHS-UHFFFAOYSA-N
XLogP3.44
TPSA119.40 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500484.24
LogP ≤ 53.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze carbon monoxide;cobalt;2-(3-ethynyl-3-methylcyclobutyl)ethylbenzene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of carbon monoxide;cobalt;2-(3-ethynyl-3-methylcyclobutyl)ethylbenzene?
The IUPAC name of carbon monoxide;cobalt;2-(3-ethynyl-3-methylcyclobutyl)ethylbenzene (CID 11123722) is carbon monoxide;cobalt;2-(3-ethynyl-3-methylcyclobutyl)ethylbenzene.
What is the SMILES notation for carbon monoxide;cobalt;2-(3-ethynyl-3-methylcyclobutyl)ethylbenzene?
The canonical SMILES for carbon monoxide;cobalt;2-(3-ethynyl-3-methylcyclobutyl)ethylbenzene is C#CC1(C)CC(CCc2ccccc2)C1.[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[Co].[Co].
What is the InChIKey of carbon monoxide;cobalt;2-(3-ethynyl-3-methylcyclobutyl)ethylbenzene?
The InChIKey is GZONGQPSVKGZHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18.6CO.2Co/c1-3-15(2)11-14(12-15)10-9-13-7-5-4-6-8-13;6*1-2;;/h1,4-8,14H,9-12H2,2H3;;;;;;;;.
What are the key properties of carbon monoxide;cobalt;2-(3-ethynyl-3-methylcyclobutyl)ethylbenzene?
carbon monoxide;cobalt;2-(3-ethynyl-3-methylcyclobutyl)ethylbenzene has a molecular weight of 484.24 g/mol, XLogP of 3.44, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for carbon monoxide;cobalt;2-(3-ethynyl-3-methylcyclobutyl)ethylbenzene is sourced from PubChem (CID 11123722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).