hexadecanoic acid;nickel

C16H32NiO2 — CID 87149195

IUPAChexadecanoic acid;nickel
SMILESCCCCCCCCCCCCCCCC(=O)O.[Ni]
InChIInChI=1S/C16H32O2.Ni/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16(17)18;/h2-15H2,1H3,(H,17,18);
InChIKeyPHUSPMVHYYEDDK-UHFFFAOYSA-N
MW315.12 g/mol
LogP5.55
Rot. Bonds14

About hexadecanoic acid;nickel

hexadecanoic acid;nickel (PubChem CID 87149195) has the molecular formula C16H32NiO2 and a molecular weight of 315.12 g/mol. Its IUPAC name is hexadecanoic acid;nickel.

Molecular Properties

Compound Namehexadecanoic acid;nickel
PubChem CID87149195
Molecular FormulaC16H32NiO2
Molecular Weight315.12 g/mol
Exact Mass314.18
IUPAC Namehexadecanoic acid;nickel
SMILESCCCCCCCCCCCCCCCC(=O)O.[Ni]
InChIInChI=1S/C16H32O2.Ni/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16(17)18;/h2-15H2,1H3,(H,17,18);
InChIKeyPHUSPMVHYYEDDK-UHFFFAOYSA-N
XLogP5.55
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds14
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500315.12
LogP ≤ 55.55
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

icosanoic acid;nickel
CID 88817802
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;tetracontanoic acid
CID 175935348
henicosane;tricosanoic acid
CID 175935357

Frequently Asked Questions

What is the IUPAC name of hexadecanoic acid;nickel?
The IUPAC name of hexadecanoic acid;nickel (CID 87149195) is hexadecanoic acid;nickel.
What is the SMILES notation for hexadecanoic acid;nickel?
The canonical SMILES for hexadecanoic acid;nickel is CCCCCCCCCCCCCCCC(=O)O.[Ni].
What is the InChIKey of hexadecanoic acid;nickel?
The InChIKey is PHUSPMVHYYEDDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H32O2.Ni/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16(17)18;/h2-15H2,1H3,(H,17,18);.
What are the key properties of hexadecanoic acid;nickel?
hexadecanoic acid;nickel has a molecular weight of 315.12 g/mol, XLogP of 5.55, 14 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for hexadecanoic acid;nickel is sourced from PubChem (CID 87149195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).