bis(dipentylphosphinate);nickel(2+)

C20H44NiO4P2 — CID 22743871

IUPACbis(dipentylphosphinate);nickel(2+)
SMILESCCCCCP(=O)([O-])CCCCC.CCCCCP(=O)([O-])CCCCC.[Ni+2]
InChIInChI=1S/2C10H23O2P.Ni/c2*1-3-5-7-9-13(11,12)10-8-6-4-2;/h2*3-10H2,1-2H3,(H,11,12);/q;;+2/p-2
InChIKeyLUFYIURLTGFRBS-UHFFFAOYSA-L
MW469.21 g/mol
LogP6.01
Rot. Bonds16

About bis(dipentylphosphinate);nickel(2+)

bis(dipentylphosphinate);nickel(2+) (PubChem CID 22743871) has the molecular formula C20H44NiO4P2 and a molecular weight of 469.21 g/mol. Its IUPAC name is bis(dipentylphosphinate);nickel(2+).

Molecular Properties

Compound Namebis(dipentylphosphinate);nickel(2+)
PubChem CID22743871
Molecular FormulaC20H44NiO4P2
Molecular Weight469.21 g/mol
Exact Mass468.21
IUPAC Namebis(dipentylphosphinate);nickel(2+)
SMILESCCCCCP(=O)([O-])CCCCC.CCCCCP(=O)([O-])CCCCC.[Ni+2]
InChIInChI=1S/2C10H23O2P.Ni/c2*1-3-5-7-9-13(11,12)10-8-6-4-2;/h2*3-10H2,1-2H3,(H,11,12);/q;;+2/p-2
InChIKeyLUFYIURLTGFRBS-UHFFFAOYSA-L
XLogP6.01
TPSA80.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds16
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500469.21
LogP ≤ 56.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze bis(dipentylphosphinate);nickel(2+) 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

bis(dioctylphosphinate);nickel(2+)
CID 22743879
bis(diheptylphosphinate);nickel(2+)
CID 22743867
aluminum tris(dipentylphosphinate)
CID 175031786
cobalt(2+);bis(dioctadecylphosphinate)
CID 140747214
calcium bis(dihexylphosphinate)
CID 170549963
sodium dioctylphosphinate
CID 23691904
aluminum tris(didecylphosphinate)
CID 175205611
tetrakis(dibutylphosphinate);tin(4+)
CID 175973447
tris(bis[(Z)-octadec-9-enyl]phosphinate);cobalt(3+)
CID 140747194
dioxido-oxo-tridecyl-λ5-phosphane
CID 23340102
cadmium(2+);dioxido-oxo-tridecyl-λ5-phosphane
CID 23340104
calcium hexadecyl-dioxido-oxo-λ5-phosphane
CID 87400108

Frequently Asked Questions

What is the IUPAC name of bis(dipentylphosphinate);nickel(2+)?
The IUPAC name of bis(dipentylphosphinate);nickel(2+) (CID 22743871) is bis(dipentylphosphinate);nickel(2+).
What is the SMILES notation for bis(dipentylphosphinate);nickel(2+)?
The canonical SMILES for bis(dipentylphosphinate);nickel(2+) is CCCCCP(=O)([O-])CCCCC.CCCCCP(=O)([O-])CCCCC.[Ni+2].
What is the InChIKey of bis(dipentylphosphinate);nickel(2+)?
The InChIKey is LUFYIURLTGFRBS-UHFFFAOYSA-L. The full InChI is InChI=1S/2C10H23O2P.Ni/c2*1-3-5-7-9-13(11,12)10-8-6-4-2;/h2*3-10H2,1-2H3,(H,11,12);/q;;+2/p-2.
What are the key properties of bis(dipentylphosphinate);nickel(2+)?
bis(dipentylphosphinate);nickel(2+) has a molecular weight of 469.21 g/mol, XLogP of 6.01, 16 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for bis(dipentylphosphinate);nickel(2+) is sourced from PubChem (CID 22743871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).