2-ethylhexanoate;bis(nickel(2+));acetate

C10H18Ni2O4+2 — CID 19733896

IUPAC2-ethylhexanoate;bis(nickel(2+));acetate
SMILESCC(=O)[O-].CCCCC(CC)C(=O)[O-].[Ni+2].[Ni+2]
InChIInChI=1S/C8H16O2.C2H4O2.2Ni/c1-3-5-6-7(4-2)8(9)10;1-2(3)4;;/h7H,3-6H2,1-2H3,(H,9,10);1H3,(H,3,4);;/q;;2*+2/p-2
InChIKeyNJCDUEYDGRDAGM-UHFFFAOYSA-L
MW319.64 g/mol
LogP-0.30
Rot. Bonds5

About 2-ethylhexanoate;bis(nickel(2+));acetate

2-ethylhexanoate;bis(nickel(2+));acetate (PubChem CID 19733896) has the molecular formula C10H18Ni2O4+2 and a molecular weight of 319.64 g/mol. Its IUPAC name is 2-ethylhexanoate;bis(nickel(2+));acetate.

Molecular Properties

Compound Name2-ethylhexanoate;bis(nickel(2+));acetate
PubChem CID19733896
Molecular FormulaC10H18Ni2O4+2
Molecular Weight319.64 g/mol
Exact Mass317.99
IUPAC Name2-ethylhexanoate;bis(nickel(2+));acetate
SMILESCC(=O)[O-].CCCCC(CC)C(=O)[O-].[Ni+2].[Ni+2]
InChIInChI=1S/C8H16O2.C2H4O2.2Ni/c1-3-5-6-7(4-2)8(9)10;1-2(3)4;;/h7H,3-6H2,1-2H3,(H,9,10);1H3,(H,3,4);;/q;;2*+2/p-2
InChIKeyNJCDUEYDGRDAGM-UHFFFAOYSA-L
XLogP-0.30
TPSA80.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.64
LogP ≤ 5-0.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

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decakis(2-ethylhexanoate);lead(2+);bis(manganese(2+));bis(nickel(2+))
CID 173457056
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);bis(zirconium(4+))
CID 175920407
bis(2-ethylhexanoate);molybdenum(2+)
CID 19602338
tetrakis(2-ethylhexanoate);thorium(4+)
CID 175390088
bis(copper(1+));bis(2-ethylhexanoate)
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CID 23616604

Frequently Asked Questions

What is the IUPAC name of 2-ethylhexanoate;bis(nickel(2+));acetate?
The IUPAC name of 2-ethylhexanoate;bis(nickel(2+));acetate (CID 19733896) is 2-ethylhexanoate;bis(nickel(2+));acetate.
What is the SMILES notation for 2-ethylhexanoate;bis(nickel(2+));acetate?
The canonical SMILES for 2-ethylhexanoate;bis(nickel(2+));acetate is CC(=O)[O-].CCCCC(CC)C(=O)[O-].[Ni+2].[Ni+2].
What is the InChIKey of 2-ethylhexanoate;bis(nickel(2+));acetate?
The InChIKey is NJCDUEYDGRDAGM-UHFFFAOYSA-L. The full InChI is InChI=1S/C8H16O2.C2H4O2.2Ni/c1-3-5-6-7(4-2)8(9)10;1-2(3)4;;/h7H,3-6H2,1-2H3,(H,9,10);1H3,(H,3,4);;/q;;2*+2/p-2.
What are the key properties of 2-ethylhexanoate;bis(nickel(2+));acetate?
2-ethylhexanoate;bis(nickel(2+));acetate has a molecular weight of 319.64 g/mol, XLogP of -0.30, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethylhexanoate;bis(nickel(2+));acetate is sourced from PubChem (CID 19733896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).