carbon monoxide;cobalt;1-methyl-1-(3-methylidenepent-4-ynyl)cyclohexane

C19H20Co2O6 — CID 11016015

IUPACcarbon monoxide;cobalt;1-methyl-1-(3-methylidenepent-4-ynyl)cyclohexane
SMILESC#CC(=C)CCC1(C)CCCCC1.[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[Co].[Co]
InChIInChI=1S/C13H20.6CO.2Co/c1-4-12(2)8-11-13(3)9-6-5-7-10-13;6*1-2;;/h1H,2,5-11H2,3H3;;;;;;;;
InChIKeyXGQRSMKKFKEACS-UHFFFAOYSA-N
MW462.23 g/mol
LogP3.70
Rot. Bonds3

About carbon monoxide;cobalt;1-methyl-1-(3-methylidenepent-4-ynyl)cyclohexane

carbon monoxide;cobalt;1-methyl-1-(3-methylidenepent-4-ynyl)cyclohexane (PubChem CID 11016015) has the molecular formula C19H20Co2O6 and a molecular weight of 462.23 g/mol. Its IUPAC name is carbon monoxide;cobalt;1-methyl-1-(3-methylidenepent-4-ynyl)cyclohexane.

Molecular Properties

Compound Namecarbon monoxide;cobalt;1-methyl-1-(3-methylidenepent-4-ynyl)cyclohexane
PubChem CID11016015
Molecular FormulaC19H20Co2O6
Molecular Weight462.23 g/mol
Exact Mass461.99
IUPAC Namecarbon monoxide;cobalt;1-methyl-1-(3-methylidenepent-4-ynyl)cyclohexane
SMILESC#CC(=C)CCC1(C)CCCCC1.[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[Co].[Co]
InChIInChI=1S/C13H20.6CO.2Co/c1-4-12(2)8-11-13(3)9-6-5-7-10-13;6*1-2;;/h1H,2,5-11H2,3H3;;;;;;;;
InChIKeyXGQRSMKKFKEACS-UHFFFAOYSA-N
XLogP3.70
TPSA119.40 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500462.23
LogP ≤ 53.70
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'}

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Related Compounds

1-methyl-1-(3-methylpenta-3,4-dienyl)cyclohexane
CID 142096766
methanamine;1-methyl-1-propylcyclohexane
CID 143166123
4-methyl-1-(1-methylcyclohexyl)pentan-3-one
CID 22217356
3-(1-methylcyclopentyl)propanoyl iodide
CID 134485203
3,16-dimethylideneoctadeca-1,17-diyne
CID 10683495
(1-methylcyclododecyl)methanol
CID 70130772
N-ethyl-N-(2-methylidenebut-3-ynyl)-1-propylcyclopropan-1-amine
CID 137396835
6-(1-methylcyclohexyl)hexanamide
CID 154219195
3-(1-methylcyclohexyl)-1-phenylpropan-1-one
CID 164668624
3-methylidenedodec-1-yne
CID 101018984
1-methyl-1-undecylcyclohexane
CID 86137257
2-(1-methylcyclohexyl)ethyl acetate
CID 70251628

Frequently Asked Questions

What is the IUPAC name of carbon monoxide;cobalt;1-methyl-1-(3-methylidenepent-4-ynyl)cyclohexane?
The IUPAC name of carbon monoxide;cobalt;1-methyl-1-(3-methylidenepent-4-ynyl)cyclohexane (CID 11016015) is carbon monoxide;cobalt;1-methyl-1-(3-methylidenepent-4-ynyl)cyclohexane.
What is the SMILES notation for carbon monoxide;cobalt;1-methyl-1-(3-methylidenepent-4-ynyl)cyclohexane?
The canonical SMILES for carbon monoxide;cobalt;1-methyl-1-(3-methylidenepent-4-ynyl)cyclohexane is C#CC(=C)CCC1(C)CCCCC1.[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[Co].[Co].
What is the InChIKey of carbon monoxide;cobalt;1-methyl-1-(3-methylidenepent-4-ynyl)cyclohexane?
The InChIKey is XGQRSMKKFKEACS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20.6CO.2Co/c1-4-12(2)8-11-13(3)9-6-5-7-10-13;6*1-2;;/h1H,2,5-11H2,3H3;;;;;;;;.
What are the key properties of carbon monoxide;cobalt;1-methyl-1-(3-methylidenepent-4-ynyl)cyclohexane?
carbon monoxide;cobalt;1-methyl-1-(3-methylidenepent-4-ynyl)cyclohexane has a molecular weight of 462.23 g/mol, XLogP of 3.70, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for carbon monoxide;cobalt;1-methyl-1-(3-methylidenepent-4-ynyl)cyclohexane is sourced from PubChem (CID 11016015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).