dipotassium;cobalt(2+);bis(2-ethylhexanoate);diacetate

C20H36CoK2O8 — CID 20539845

IUPACdipotassium;cobalt(2+);bis(2-ethylhexanoate);diacetate
SMILESCC(=O)[O-].CC(=O)[O-].CCCCC(CC)C(=O)[O-].CCCCC(CC)C(=O)[O-].[Co+2].[K+].[K+]
InChIInChI=1S/2C8H16O2.2C2H4O2.Co.2K/c2*1-3-5-6-7(4-2)8(9)10;2*1-2(3)4;;;/h2*7H,3-6H2,1-2H3,(H,9,10);2*1H3,(H,3,4);;;/q;;;;+2;2*+1/p-4
InChIKeyNMUNZOJKRBUZDG-UHFFFAOYSA-J
MW541.63 g/mol
LogP-6.58
Rot. Bonds10

About dipotassium;cobalt(2+);bis(2-ethylhexanoate);diacetate

dipotassium;cobalt(2+);bis(2-ethylhexanoate);diacetate (PubChem CID 20539845) has the molecular formula C20H36CoK2O8 and a molecular weight of 541.63 g/mol. Its IUPAC name is dipotassium;cobalt(2+);bis(2-ethylhexanoate);diacetate.

Molecular Properties

Compound Namedipotassium;cobalt(2+);bis(2-ethylhexanoate);diacetate
PubChem CID20539845
Molecular FormulaC20H36CoK2O8
Molecular Weight541.63 g/mol
Exact Mass541.10
IUPAC Namedipotassium;cobalt(2+);bis(2-ethylhexanoate);diacetate
SMILESCC(=O)[O-].CC(=O)[O-].CCCCC(CC)C(=O)[O-].CCCCC(CC)C(=O)[O-].[Co+2].[K+].[K+]
InChIInChI=1S/2C8H16O2.2C2H4O2.Co.2K/c2*1-3-5-6-7(4-2)8(9)10;2*1-2(3)4;;;/h2*7H,3-6H2,1-2H3,(H,9,10);2*1H3,(H,3,4);;;/q;;;;+2;2*+1/p-4
InChIKeyNMUNZOJKRBUZDG-UHFFFAOYSA-J
XLogP-6.58
TPSA160.52 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds10
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500541.63
LogP ≤ 5-6.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Related Compounds

2-ethylhexanoate;bis(nickel(2+));acetate
CID 19733896
2-ethylhexanoate;bis(yttrium(3+));zirconium(4+);acetate;trihydrate
CID 161247087
tetrakis(2-ethylhexanoate);bis(zirconium(4+))
CID 175920407
bis(2-ethylhexanoate);molybdenum(2+)
CID 19602338
tetrakis(2-ethylhexanoate);tin(4+)
CID 22506300
gallium 2-ethylhexanoate
CID 21118224
CID 21474875
CID 21474875
bis(2-ethylhexanoate);zirconium(2+)
CID 13388286
tetrakis(2-ethylhexanoate);thorium(4+)
CID 175390088
bis(copper(1+));bis(2-ethylhexanoate)
CID 21116994
2-ethylhexanoate;tin(2+)
CID 23616604
bis(2-ethylhexanoate);titanium(4+);dichloride
CID 173230651

Frequently Asked Questions

What is the IUPAC name of dipotassium;cobalt(2+);bis(2-ethylhexanoate);diacetate?
The IUPAC name of dipotassium;cobalt(2+);bis(2-ethylhexanoate);diacetate (CID 20539845) is dipotassium;cobalt(2+);bis(2-ethylhexanoate);diacetate.
What is the SMILES notation for dipotassium;cobalt(2+);bis(2-ethylhexanoate);diacetate?
The canonical SMILES for dipotassium;cobalt(2+);bis(2-ethylhexanoate);diacetate is CC(=O)[O-].CC(=O)[O-].CCCCC(CC)C(=O)[O-].CCCCC(CC)C(=O)[O-].[Co+2].[K+].[K+].
What is the InChIKey of dipotassium;cobalt(2+);bis(2-ethylhexanoate);diacetate?
The InChIKey is NMUNZOJKRBUZDG-UHFFFAOYSA-J. The full InChI is InChI=1S/2C8H16O2.2C2H4O2.Co.2K/c2*1-3-5-6-7(4-2)8(9)10;2*1-2(3)4;;;/h2*7H,3-6H2,1-2H3,(H,9,10);2*1H3,(H,3,4);;;/q;;;;+2;2*+1/p-4.
What are the key properties of dipotassium;cobalt(2+);bis(2-ethylhexanoate);diacetate?
dipotassium;cobalt(2+);bis(2-ethylhexanoate);diacetate has a molecular weight of 541.63 g/mol, XLogP of -6.58, 10 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for dipotassium;cobalt(2+);bis(2-ethylhexanoate);diacetate is sourced from PubChem (CID 20539845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).