cyclohexane;2-ethylhexanoic acid;nickel

C14H28NiO2 — CID 174366727

IUPACcyclohexane;2-ethylhexanoic acid;nickel
SMILESC1CCCCC1.CCCCC(CC)C(=O)O.[Ni]
InChIInChI=1S/C8H16O2.C6H12.Ni/c1-3-5-6-7(4-2)8(9)10;1-2-4-6-5-3-1;/h7H,3-6H2,1-2H3,(H,9,10);1-6H2;
InChIKeyLODYFFFEMXSDNA-UHFFFAOYSA-N
MW287.07 g/mol
LogP4.63
Rot. Bonds5

About cyclohexane;2-ethylhexanoic acid;nickel

cyclohexane;2-ethylhexanoic acid;nickel (PubChem CID 174366727) has the molecular formula C14H28NiO2 and a molecular weight of 287.07 g/mol. Its IUPAC name is cyclohexane;2-ethylhexanoic acid;nickel.

Molecular Properties

Compound Namecyclohexane;2-ethylhexanoic acid;nickel
PubChem CID174366727
Molecular FormulaC14H28NiO2
Molecular Weight287.07 g/mol
Exact Mass286.14
IUPAC Namecyclohexane;2-ethylhexanoic acid;nickel
SMILESC1CCCCC1.CCCCC(CC)C(=O)O.[Ni]
InChIInChI=1S/C8H16O2.C6H12.Ni/c1-3-5-6-7(4-2)8(9)10;1-2-4-6-5-3-1;/h7H,3-6H2,1-2H3,(H,9,10);1-6H2;
InChIKeyLODYFFFEMXSDNA-UHFFFAOYSA-N
XLogP4.63
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.07
LogP ≤ 54.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

cobalt;bis(2-ethylhexanoic acid);nickel
CID 173442875
2-ethylhexanoic acid;palladium(2+)
CID 18629949
cobalt;bis(2-ethylhexanoic acid)
CID 85390748
2-ethylhexanoic acid;niobium
CID 87060397
copper 2-ethylhexanoic acid
CID 54604905
tetrakis(2-ethylhexanoic acid);hafnium
CID 140535448
bis(2-ethylhexanoic acid);manganese
CID 173402583
bis(2-ethylhexanoic acid);manganese(3+)
CID 175736722
barium(2+);2-ethylhexanoic acid;hydride
CID 172997422
2-ethylhexanoic acid;hexadecane
CID 174408772
2-chloroacetic acid;2-ethylhexanoic acid;nickel
CID 174381559
tris(2-ethylhexanoic acid);propan-2-yl-λ2-stannane
CID 173133127

Frequently Asked Questions

What is the IUPAC name of cyclohexane;2-ethylhexanoic acid;nickel?
The IUPAC name of cyclohexane;2-ethylhexanoic acid;nickel (CID 174366727) is cyclohexane;2-ethylhexanoic acid;nickel.
What is the SMILES notation for cyclohexane;2-ethylhexanoic acid;nickel?
The canonical SMILES for cyclohexane;2-ethylhexanoic acid;nickel is C1CCCCC1.CCCCC(CC)C(=O)O.[Ni].
What is the InChIKey of cyclohexane;2-ethylhexanoic acid;nickel?
The InChIKey is LODYFFFEMXSDNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16O2.C6H12.Ni/c1-3-5-6-7(4-2)8(9)10;1-2-4-6-5-3-1;/h7H,3-6H2,1-2H3,(H,9,10);1-6H2;.
What are the key properties of cyclohexane;2-ethylhexanoic acid;nickel?
cyclohexane;2-ethylhexanoic acid;nickel has a molecular weight of 287.07 g/mol, XLogP of 4.63, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohexane;2-ethylhexanoic acid;nickel is sourced from PubChem (CID 174366727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).