didodecylphosphinic acid;nickel

C24H51NiO2P — CID 87135872

IUPACdidodecylphosphinic acid;nickel
SMILESCCCCCCCCCCCCP(=O)(O)CCCCCCCCCCCC.[Ni]
InChIInChI=1S/C24H51O2P.Ni/c1-3-5-7-9-11-13-15-17-19-21-23-27(25,26)24-22-20-18-16-14-12-10-8-6-4-2;/h3-24H2,1-2H3,(H,25,26);
InChIKeyBLDWQKKFGNHRRO-UHFFFAOYSA-N
MW461.34 g/mol
LogP9.10
Rot. Bonds22

About didodecylphosphinic acid;nickel

didodecylphosphinic acid;nickel (PubChem CID 87135872) has the molecular formula C24H51NiO2P and a molecular weight of 461.34 g/mol. Its IUPAC name is didodecylphosphinic acid;nickel.

Molecular Properties

Compound Namedidodecylphosphinic acid;nickel
PubChem CID87135872
Molecular FormulaC24H51NiO2P
Molecular Weight461.34 g/mol
Exact Mass460.30
IUPAC Namedidodecylphosphinic acid;nickel
SMILESCCCCCCCCCCCCP(=O)(O)CCCCCCCCCCCC.[Ni]
InChIInChI=1S/C24H51O2P.Ni/c1-3-5-7-9-11-13-15-17-19-21-23-27(25,26)24-22-20-18-16-14-12-10-8-6-4-2;/h3-24H2,1-2H3,(H,25,26);
InChIKeyBLDWQKKFGNHRRO-UHFFFAOYSA-N
XLogP9.10
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds22
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500461.34
LogP ≤ 59.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

didecylphosphinic acid;nickel
CID 87135973
dioctadecylphosphinic acid;nickel
CID 87136046
dihexylphosphinic acid;hexyl(propyl)phosphinic acid
CID 122574606
3-[dodecyl(hydroxy)phosphoryl]propanoic acid
CID 19011094
hexylphosphonic acid;octylphosphonic acid
CID 155346901
1-didodecylphosphoryldodecane
CID 12543829
1-dihexylphosphorylhexane;1-dioctylphosphoryloctane
CID 121237547
dodecane;phosphoric acid
CID 88801558
2-[dodecyl(hydroxy)phosphoryl]acetic acid
CID 56691297
(3-chloro-3-oxopropyl)-hexylphosphinic acid;hydrochloride
CID 88803274
octadecylphosphonic acid;zirconium
CID 87308115
dodecylphosphonic acid;phosphoric acid
CID 88779225

Frequently Asked Questions

What is the IUPAC name of didodecylphosphinic acid;nickel?
The IUPAC name of didodecylphosphinic acid;nickel (CID 87135872) is didodecylphosphinic acid;nickel.
What is the SMILES notation for didodecylphosphinic acid;nickel?
The canonical SMILES for didodecylphosphinic acid;nickel is CCCCCCCCCCCCP(=O)(O)CCCCCCCCCCCC.[Ni].
What is the InChIKey of didodecylphosphinic acid;nickel?
The InChIKey is BLDWQKKFGNHRRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H51O2P.Ni/c1-3-5-7-9-11-13-15-17-19-21-23-27(25,26)24-22-20-18-16-14-12-10-8-6-4-2;/h3-24H2,1-2H3,(H,25,26);.
What are the key properties of didodecylphosphinic acid;nickel?
didodecylphosphinic acid;nickel has a molecular weight of 461.34 g/mol, XLogP of 9.10, 22 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for didodecylphosphinic acid;nickel is sourced from PubChem (CID 87135872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).