cobalt(2+);diethylalumanylium;tris(octanoate)

C28H55AlCoO6 — CID 173233481

IUPACcobalt(2+);diethylalumanylium;tris(octanoate)
SMILESCCCCCCCC(=O)[O-].CCCCCCCC(=O)[O-].CCCCCCCC(=O)[O-].CC[Al+]CC.[Co+2]
InChIInChI=1S/3C8H16O2.2C2H5.Al.Co/c3*1-2-3-4-5-6-7-8(9)10;2*1-2;;/h3*2-7H2,1H3,(H,9,10);2*1H2,2H3;;/q;;;;;+1;+2/p-3
InChIKeyFJSMIDFLDGCQKQ-UHFFFAOYSA-K
MW573.66 g/mol
LogP4.85
Rot. Bonds20

About cobalt(2+);diethylalumanylium;tris(octanoate)

cobalt(2+);diethylalumanylium;tris(octanoate) (PubChem CID 173233481) has the molecular formula C28H55AlCoO6 and a molecular weight of 573.66 g/mol. Its IUPAC name is cobalt(2+);diethylalumanylium;tris(octanoate).

Molecular Properties

Compound Namecobalt(2+);diethylalumanylium;tris(octanoate)
PubChem CID173233481
Molecular FormulaC28H55AlCoO6
Molecular Weight573.66 g/mol
Exact Mass573.31
IUPAC Namecobalt(2+);diethylalumanylium;tris(octanoate)
SMILESCCCCCCCC(=O)[O-].CCCCCCCC(=O)[O-].CCCCCCCC(=O)[O-].CC[Al+]CC.[Co+2]
InChIInChI=1S/3C8H16O2.2C2H5.Al.Co/c3*1-2-3-4-5-6-7-8(9)10;2*1-2;;/h3*2-7H2,1H3,(H,9,10);2*1H2,2H3;;/q;;;;;+1;+2/p-3
InChIKeyFJSMIDFLDGCQKQ-UHFFFAOYSA-K
XLogP4.85
TPSA120.39 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds20
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500573.66
LogP ≤ 54.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

diethylalumanylium;octadecanoate
CID 22480669
tetrakis(cobalt(2+));octakis(decanoate)
CID 22485854
cobalt(2+);bis(heptanoate)
CID 14298657
zinc;cobalt(2+);bis(octadecanoate)
CID 159850249
calcium;cobalt(2+);tetrakis(octadecanoate)
CID 163980836
bis(octadecanoate);platinum(2+)
CID 87233709
CID 23623890
CID 23623890
octadecanoate
CID 3033836
calcium;tris(octadecanoate);oxostibanylium
CID 163476687
bis(hexadecanoate);iron(2+)
CID 56842415
tetrakis(octadecanoate);thorium(4+)
CID 160802738
gallium tris(decanoate)
CID 23501641

Frequently Asked Questions

What is the IUPAC name of cobalt(2+);diethylalumanylium;tris(octanoate)?
The IUPAC name of cobalt(2+);diethylalumanylium;tris(octanoate) (CID 173233481) is cobalt(2+);diethylalumanylium;tris(octanoate).
What is the SMILES notation for cobalt(2+);diethylalumanylium;tris(octanoate)?
The canonical SMILES for cobalt(2+);diethylalumanylium;tris(octanoate) is CCCCCCCC(=O)[O-].CCCCCCCC(=O)[O-].CCCCCCCC(=O)[O-].CC[Al+]CC.[Co+2].
What is the InChIKey of cobalt(2+);diethylalumanylium;tris(octanoate)?
The InChIKey is FJSMIDFLDGCQKQ-UHFFFAOYSA-K. The full InChI is InChI=1S/3C8H16O2.2C2H5.Al.Co/c3*1-2-3-4-5-6-7-8(9)10;2*1-2;;/h3*2-7H2,1H3,(H,9,10);2*1H2,2H3;;/q;;;;;+1;+2/p-3.
What are the key properties of cobalt(2+);diethylalumanylium;tris(octanoate)?
cobalt(2+);diethylalumanylium;tris(octanoate) has a molecular weight of 573.66 g/mol, XLogP of 4.85, 20 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for cobalt(2+);diethylalumanylium;tris(octanoate) is sourced from PubChem (CID 173233481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).