carbon monoxide;cobalt;cobalt(2+);methanone;oct-4-yne

C14H16Co2O6 — CID 164672549

IUPACcarbon monoxide;cobalt;cobalt(2+);methanone;oct-4-yne
SMILESCCCC#CCCC.[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[CH-]=O.[CH-]=O.[Co+2].[Co]
InChIInChI=1S/C8H14.2CHO.4CO.2Co/c1-3-5-7-8-6-4-2;6*1-2;;/h3-6H2,1-2H3;2*1H;;;;;;/q;2*-1;;;;;;+2
InChIKeyFPMPTOLADFUFID-UHFFFAOYSA-N
MW398.14 g/mol
LogP1.89
Rot. Bonds2

About carbon monoxide;cobalt;cobalt(2+);methanone;oct-4-yne

carbon monoxide;cobalt;cobalt(2+);methanone;oct-4-yne (PubChem CID 164672549) has the molecular formula C14H16Co2O6 and a molecular weight of 398.14 g/mol. Its IUPAC name is carbon monoxide;cobalt;cobalt(2+);methanone;oct-4-yne.

Molecular Properties

Compound Namecarbon monoxide;cobalt;cobalt(2+);methanone;oct-4-yne
PubChem CID164672549
Molecular FormulaC14H16Co2O6
Molecular Weight398.14 g/mol
Exact Mass397.96
IUPAC Namecarbon monoxide;cobalt;cobalt(2+);methanone;oct-4-yne
SMILESCCCC#CCCC.[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[CH-]=O.[CH-]=O.[Co+2].[Co]
InChIInChI=1S/C8H14.2CHO.4CO.2Co/c1-3-5-7-8-6-4-2;6*1-2;;/h3-6H2,1-2H3;2*1H;;;;;;/q;2*-1;;;;;;+2
InChIKeyFPMPTOLADFUFID-UHFFFAOYSA-N
XLogP1.89
TPSA113.74 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.14
LogP ≤ 51.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'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

benzene;carbon monoxide;chromium;oct-4-yne
CID 134898914
hept-3-ynamide
CID 55289382
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tetradeca-4,9-diyne
CID 173328648
non-5-yn-2-one
CID 14901661
nonacos-4-yne
CID 22223961
pentacos-4-yne
CID 22223888
hex-2-yn-1-ol;methanesulfonic acid
CID 71333230
hex-2-ynyl(trimethyl)azanium
CID 71317889
1-methoxyhept-3-yne
CID 54126530
dodeca-4,7-diyne
CID 173074460
hex-2-ynethial
CID 56991386

Frequently Asked Questions

What is the IUPAC name of carbon monoxide;cobalt;cobalt(2+);methanone;oct-4-yne?
The IUPAC name of carbon monoxide;cobalt;cobalt(2+);methanone;oct-4-yne (CID 164672549) is carbon monoxide;cobalt;cobalt(2+);methanone;oct-4-yne.
What is the SMILES notation for carbon monoxide;cobalt;cobalt(2+);methanone;oct-4-yne?
The canonical SMILES for carbon monoxide;cobalt;cobalt(2+);methanone;oct-4-yne is CCCC#CCCC.[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[CH-]=O.[CH-]=O.[Co+2].[Co].
What is the InChIKey of carbon monoxide;cobalt;cobalt(2+);methanone;oct-4-yne?
The InChIKey is FPMPTOLADFUFID-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14.2CHO.4CO.2Co/c1-3-5-7-8-6-4-2;6*1-2;;/h3-6H2,1-2H3;2*1H;;;;;;/q;2*-1;;;;;;+2.
What are the key properties of carbon monoxide;cobalt;cobalt(2+);methanone;oct-4-yne?
carbon monoxide;cobalt;cobalt(2+);methanone;oct-4-yne has a molecular weight of 398.14 g/mol, XLogP of 1.89, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for carbon monoxide;cobalt;cobalt(2+);methanone;oct-4-yne is sourced from PubChem (CID 164672549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).