bis(dioctylphosphinate);nickel(2+)

C32H68NiO4P2 — CID 22743879

IUPACbis(dioctylphosphinate);nickel(2+)
SMILESCCCCCCCCP(=O)([O-])CCCCCCCC.CCCCCCCCP(=O)([O-])CCCCCCCC.[Ni+2]
InChIInChI=1S/2C16H35O2P.Ni/c2*1-3-5-7-9-11-13-15-19(17,18)16-14-12-10-8-6-4-2;/h2*3-16H2,1-2H3,(H,17,18);/q;;+2/p-2
InChIKeyVNCLIZHZEHZGCH-UHFFFAOYSA-L
MW637.53 g/mol
LogP10.69
Rot. Bonds28

About bis(dioctylphosphinate);nickel(2+)

bis(dioctylphosphinate);nickel(2+) (PubChem CID 22743879) has the molecular formula C32H68NiO4P2 and a molecular weight of 637.53 g/mol. Its IUPAC name is bis(dioctylphosphinate);nickel(2+).

Molecular Properties

Compound Namebis(dioctylphosphinate);nickel(2+)
PubChem CID22743879
Molecular FormulaC32H68NiO4P2
Molecular Weight637.53 g/mol
Exact Mass636.39
IUPAC Namebis(dioctylphosphinate);nickel(2+)
SMILESCCCCCCCCP(=O)([O-])CCCCCCCC.CCCCCCCCP(=O)([O-])CCCCCCCC.[Ni+2]
InChIInChI=1S/2C16H35O2P.Ni/c2*1-3-5-7-9-11-13-15-19(17,18)16-14-12-10-8-6-4-2;/h2*3-16H2,1-2H3,(H,17,18);/q;;+2/p-2
InChIKeyVNCLIZHZEHZGCH-UHFFFAOYSA-L
XLogP10.69
TPSA80.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds28
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500637.53
LogP ≤ 510.69
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(dioctylphosphinate);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(diheptylphosphinate);nickel(2+)
CID 22743867
bis(dipentylphosphinate);nickel(2+)
CID 22743871
sodium dioctylphosphinate
CID 23691904
aluminum tris(didecylphosphinate)
CID 175205611
cobalt(2+);bis(dioctadecylphosphinate)
CID 140747214
calcium bis(dihexylphosphinate)
CID 170549963
aluminum tris(dipentylphosphinate)
CID 175031786
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(dioctylphosphinate);nickel(2+)?
The IUPAC name of bis(dioctylphosphinate);nickel(2+) (CID 22743879) is bis(dioctylphosphinate);nickel(2+).
What is the SMILES notation for bis(dioctylphosphinate);nickel(2+)?
The canonical SMILES for bis(dioctylphosphinate);nickel(2+) is CCCCCCCCP(=O)([O-])CCCCCCCC.CCCCCCCCP(=O)([O-])CCCCCCCC.[Ni+2].
What is the InChIKey of bis(dioctylphosphinate);nickel(2+)?
The InChIKey is VNCLIZHZEHZGCH-UHFFFAOYSA-L. The full InChI is InChI=1S/2C16H35O2P.Ni/c2*1-3-5-7-9-11-13-15-19(17,18)16-14-12-10-8-6-4-2;/h2*3-16H2,1-2H3,(H,17,18);/q;;+2/p-2.
What are the key properties of bis(dioctylphosphinate);nickel(2+)?
bis(dioctylphosphinate);nickel(2+) has a molecular weight of 637.53 g/mol, XLogP of 10.69, 28 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for bis(dioctylphosphinate);nickel(2+) is sourced from PubChem (CID 22743879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).