bis(diheptylphosphinate);nickel(2+)

C28H60NiO4P2 — CID 22743867

IUPACbis(diheptylphosphinate);nickel(2+)
SMILESCCCCCCCP(=O)([O-])CCCCCCC.CCCCCCCP(=O)([O-])CCCCCCC.[Ni+2]
InChIInChI=1S/2C14H31O2P.Ni/c2*1-3-5-7-9-11-13-17(15,16)14-12-10-8-6-4-2;/h2*3-14H2,1-2H3,(H,15,16);/q;;+2/p-2
InChIKeyULRIYTVCAMYZKR-UHFFFAOYSA-L
MW581.43 g/mol
LogP9.13
Rot. Bonds24

About bis(diheptylphosphinate);nickel(2+)

bis(diheptylphosphinate);nickel(2+) (PubChem CID 22743867) has the molecular formula C28H60NiO4P2 and a molecular weight of 581.43 g/mol. Its IUPAC name is bis(diheptylphosphinate);nickel(2+).

Molecular Properties

Compound Namebis(diheptylphosphinate);nickel(2+)
PubChem CID22743867
Molecular FormulaC28H60NiO4P2
Molecular Weight581.43 g/mol
Exact Mass580.33
IUPAC Namebis(diheptylphosphinate);nickel(2+)
SMILESCCCCCCCP(=O)([O-])CCCCCCC.CCCCCCCP(=O)([O-])CCCCCCC.[Ni+2]
InChIInChI=1S/2C14H31O2P.Ni/c2*1-3-5-7-9-11-13-17(15,16)14-12-10-8-6-4-2;/h2*3-14H2,1-2H3,(H,15,16);/q;;+2/p-2
InChIKeyULRIYTVCAMYZKR-UHFFFAOYSA-L
XLogP9.13
TPSA80.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds24
Heavy Atoms35
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500581.43
LogP ≤ 59.13
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'}

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Related Compounds

bis(dioctylphosphinate);nickel(2+)
CID 22743879
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(diheptylphosphinate);nickel(2+)?
The IUPAC name of bis(diheptylphosphinate);nickel(2+) (CID 22743867) is bis(diheptylphosphinate);nickel(2+).
What is the SMILES notation for bis(diheptylphosphinate);nickel(2+)?
The canonical SMILES for bis(diheptylphosphinate);nickel(2+) is CCCCCCCP(=O)([O-])CCCCCCC.CCCCCCCP(=O)([O-])CCCCCCC.[Ni+2].
What is the InChIKey of bis(diheptylphosphinate);nickel(2+)?
The InChIKey is ULRIYTVCAMYZKR-UHFFFAOYSA-L. The full InChI is InChI=1S/2C14H31O2P.Ni/c2*1-3-5-7-9-11-13-17(15,16)14-12-10-8-6-4-2;/h2*3-14H2,1-2H3,(H,15,16);/q;;+2/p-2.
What are the key properties of bis(diheptylphosphinate);nickel(2+)?
bis(diheptylphosphinate);nickel(2+) has a molecular weight of 581.43 g/mol, XLogP of 9.13, 24 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for bis(diheptylphosphinate);nickel(2+) is sourced from PubChem (CID 22743867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).