didecylphosphinic acid;nickel

C20H43NiO2P — CID 87135973

IUPACdidecylphosphinic acid;nickel
SMILESCCCCCCCCCCP(=O)(O)CCCCCCCCCC.[Ni]
InChIInChI=1S/C20H43O2P.Ni/c1-3-5-7-9-11-13-15-17-19-23(21,22)20-18-16-14-12-10-8-6-4-2;/h3-20H2,1-2H3,(H,21,22);
InChIKeyRWZPZHMFCLYIOG-UHFFFAOYSA-N
MW405.23 g/mol
LogP7.54
Rot. Bonds18

About didecylphosphinic acid;nickel

didecylphosphinic acid;nickel (PubChem CID 87135973) has the molecular formula C20H43NiO2P and a molecular weight of 405.23 g/mol. Its IUPAC name is didecylphosphinic acid;nickel.

Molecular Properties

Compound Namedidecylphosphinic acid;nickel
PubChem CID87135973
Molecular FormulaC20H43NiO2P
Molecular Weight405.23 g/mol
Exact Mass404.24
IUPAC Namedidecylphosphinic acid;nickel
SMILESCCCCCCCCCCP(=O)(O)CCCCCCCCCC.[Ni]
InChIInChI=1S/C20H43O2P.Ni/c1-3-5-7-9-11-13-15-17-19-23(21,22)20-18-16-14-12-10-8-6-4-2;/h3-20H2,1-2H3,(H,21,22);
InChIKeyRWZPZHMFCLYIOG-UHFFFAOYSA-N
XLogP7.54
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds18
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500405.23
LogP ≤ 57.54
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

didodecylphosphinic acid;nickel
CID 87135872
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 didecylphosphinic acid;nickel?
The IUPAC name of didecylphosphinic acid;nickel (CID 87135973) is didecylphosphinic acid;nickel.
What is the SMILES notation for didecylphosphinic acid;nickel?
The canonical SMILES for didecylphosphinic acid;nickel is CCCCCCCCCCP(=O)(O)CCCCCCCCCC.[Ni].
What is the InChIKey of didecylphosphinic acid;nickel?
The InChIKey is RWZPZHMFCLYIOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H43O2P.Ni/c1-3-5-7-9-11-13-15-17-19-23(21,22)20-18-16-14-12-10-8-6-4-2;/h3-20H2,1-2H3,(H,21,22);.
What are the key properties of didecylphosphinic acid;nickel?
didecylphosphinic acid;nickel has a molecular weight of 405.23 g/mol, XLogP of 7.54, 18 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for didecylphosphinic acid;nickel is sourced from PubChem (CID 87135973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).