icosanoic acid;nickel

C20H40NiO2 — CID 88817802

IUPACicosanoic acid;nickel
SMILESCCCCCCCCCCCCCCCCCCCC(=O)O.[Ni]
InChIInChI=1S/C20H40O2.Ni/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20(21)22;/h2-19H2,1H3,(H,21,22);
InChIKeyCHHGTDGPTIZCEF-UHFFFAOYSA-N
MW371.23 g/mol
LogP7.11
Rot. Bonds18

About icosanoic acid;nickel

icosanoic acid;nickel (PubChem CID 88817802) has the molecular formula C20H40NiO2 and a molecular weight of 371.23 g/mol. Its IUPAC name is icosanoic acid;nickel.

Molecular Properties

Compound Nameicosanoic acid;nickel
PubChem CID88817802
Molecular FormulaC20H40NiO2
Molecular Weight371.23 g/mol
Exact Mass370.24
IUPAC Nameicosanoic acid;nickel
SMILESCCCCCCCCCCCCCCCCCCCC(=O)O.[Ni]
InChIInChI=1S/C20H40O2.Ni/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20(21)22;/h2-19H2,1H3,(H,21,22);
InChIKeyCHHGTDGPTIZCEF-UHFFFAOYSA-N
XLogP7.11
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds18
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500371.23
LogP ≤ 57.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

hexadecanoic acid;nickel
CID 87149195
hexadecanoic acid;nickel
CID 88843968
cobalt;nickel;octanoic acid
CID 88782516
octadecanoic acid
CID 157075632
decanoic acid;heptanoic acid;nonanoic acid;octanoic acid
CID 163854999
hexadecane;hexadecanedioic acid
CID 159838474
decanoic acid;hexanedioic acid;nonanedioic acid
CID 161134683
bis(hexane);tetradecanoic acid
CID 173301731
bis(decanoic acid);bis(octanoic acid)
CID 160578094
decanoic acid;bis(nonanoic acid)
CID 159376136
henicosane;tricosanoic acid
CID 175935357
decanoic acid;tetradecanoic acid
CID 87611521

Frequently Asked Questions

What is the IUPAC name of icosanoic acid;nickel?
The IUPAC name of icosanoic acid;nickel (CID 88817802) is icosanoic acid;nickel.
What is the SMILES notation for icosanoic acid;nickel?
The canonical SMILES for icosanoic acid;nickel is CCCCCCCCCCCCCCCCCCCC(=O)O.[Ni].
What is the InChIKey of icosanoic acid;nickel?
The InChIKey is CHHGTDGPTIZCEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H40O2.Ni/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20(21)22;/h2-19H2,1H3,(H,21,22);.
What are the key properties of icosanoic acid;nickel?
icosanoic acid;nickel has a molecular weight of 371.23 g/mol, XLogP of 7.11, 18 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for icosanoic acid;nickel is sourced from PubChem (CID 88817802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).