hexadecanoic acid;nickel

C16H32Ni2O2 — CID 88843968

IUPAChexadecanoic acid;nickel
SMILESCCCCCCCCCCCCCCCC(=O)O.[Ni].[Ni]
InChIInChI=1S/C16H32O2.2Ni/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16(17)18;;/h2-15H2,1H3,(H,17,18);;
InChIKeyALZKHHSKKQOVNC-UHFFFAOYSA-N
MW373.82 g/mol
LogP5.55
Rot. Bonds14

About hexadecanoic acid;nickel

hexadecanoic acid;nickel (PubChem CID 88843968) has the molecular formula C16H32Ni2O2 and a molecular weight of 373.82 g/mol. Its IUPAC name is hexadecanoic acid;nickel.

Molecular Properties

Compound Namehexadecanoic acid;nickel
PubChem CID88843968
Molecular FormulaC16H32Ni2O2
Molecular Weight373.82 g/mol
Exact Mass372.11
IUPAC Namehexadecanoic acid;nickel
SMILESCCCCCCCCCCCCCCCC(=O)O.[Ni].[Ni]
InChIInChI=1S/C16H32O2.2Ni/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16(17)18;;/h2-15H2,1H3,(H,17,18);;
InChIKeyALZKHHSKKQOVNC-UHFFFAOYSA-N
XLogP5.55
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds14
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500373.82
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 87149195
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
decanedioic acid;nonane
CID 25154161
decanoic acid
CID 158633075
decanoic acid;hexanedioic acid
CID 87189912
henicosane;tetracontanoic acid
CID 175935348

Frequently Asked Questions

What is the IUPAC name of hexadecanoic acid;nickel?
The IUPAC name of hexadecanoic acid;nickel (CID 88843968) 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].[Ni].
What is the InChIKey of hexadecanoic acid;nickel?
The InChIKey is ALZKHHSKKQOVNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H32O2.2Ni/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 373.82 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 88843968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).