dioctadecylphosphinic acid;nickel

C36H75NiO2P — CID 87136046

IUPACdioctadecylphosphinic acid;nickel
SMILESCCCCCCCCCCCCCCCCCCP(=O)(O)CCCCCCCCCCCCCCCCCC.[Ni]
InChIInChI=1S/C36H75O2P.Ni/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-39(37,38)36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2;/h3-36H2,1-2H3,(H,37,38);
InChIKeyDXIBBZYUOVZPLA-UHFFFAOYSA-N
MW629.66 g/mol
LogP13.78
Rot. Bonds34

About dioctadecylphosphinic acid;nickel

dioctadecylphosphinic acid;nickel (PubChem CID 87136046) has the molecular formula C36H75NiO2P and a molecular weight of 629.66 g/mol. Its IUPAC name is dioctadecylphosphinic acid;nickel.

Molecular Properties

Compound Namedioctadecylphosphinic acid;nickel
PubChem CID87136046
Molecular FormulaC36H75NiO2P
Molecular Weight629.66 g/mol
Exact Mass628.49
IUPAC Namedioctadecylphosphinic acid;nickel
SMILESCCCCCCCCCCCCCCCCCCP(=O)(O)CCCCCCCCCCCCCCCCCC.[Ni]
InChIInChI=1S/C36H75O2P.Ni/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-39(37,38)36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2;/h3-36H2,1-2H3,(H,37,38);
InChIKeyDXIBBZYUOVZPLA-UHFFFAOYSA-N
XLogP13.78
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds34
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500629.66
LogP ≤ 513.78
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'}

Analyze dioctadecylphosphinic acid;nickel with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

didodecylphosphinic acid;nickel
CID 87135872
didecylphosphinic acid;nickel
CID 87135973
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 dioctadecylphosphinic acid;nickel?
The IUPAC name of dioctadecylphosphinic acid;nickel (CID 87136046) is dioctadecylphosphinic acid;nickel.
What is the SMILES notation for dioctadecylphosphinic acid;nickel?
The canonical SMILES for dioctadecylphosphinic acid;nickel is CCCCCCCCCCCCCCCCCCP(=O)(O)CCCCCCCCCCCCCCCCCC.[Ni].
What is the InChIKey of dioctadecylphosphinic acid;nickel?
The InChIKey is DXIBBZYUOVZPLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H75O2P.Ni/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-39(37,38)36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2;/h3-36H2,1-2H3,(H,37,38);.
What are the key properties of dioctadecylphosphinic acid;nickel?
dioctadecylphosphinic acid;nickel has a molecular weight of 629.66 g/mol, XLogP of 13.78, 34 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for dioctadecylphosphinic acid;nickel is sourced from PubChem (CID 87136046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).