nickel;tetrakis(tris(2-ethylhexyl) phosphite)

C96H204NiO12P4 — CID 14475286

IUPACnickel;tetrakis(tris(2-ethylhexyl) phosphite)
SMILESCCCCC(CC)COP(OCC(CC)CCCC)OCC(CC)CCCC.CCCCC(CC)COP(OCC(CC)CCCC)OCC(CC)CCCC.CCCCC(CC)COP(OCC(CC)CCCC)OCC(CC)CCCC.CCCCC(CC)COP(OCC(CC)CCCC)OCC(CC)CCCC.[Ni]
InChIInChI=1S/4C24H51O3P.Ni/c4*1-7-13-16-22(10-4)19-25-28(26-20-23(11-5)17-14-8-2)27-21-24(12-6)18-15-9-3;/h4*22-24H,7-21H2,1-6H3;
InChIKeyYERHNJXKPPZDDC-UHFFFAOYSA-N
MW1733.26 g/mol
LogP35.65
Rot. Bonds84

About nickel;tetrakis(tris(2-ethylhexyl) phosphite)

nickel;tetrakis(tris(2-ethylhexyl) phosphite) (PubChem CID 14475286) has the molecular formula C96H204NiO12P4 and a molecular weight of 1733.26 g/mol. Its IUPAC name is nickel;tetrakis(tris(2-ethylhexyl) phosphite).

Molecular Properties

Compound Namenickel;tetrakis(tris(2-ethylhexyl) phosphite)
PubChem CID14475286
Molecular FormulaC96H204NiO12P4
Molecular Weight1733.26 g/mol
Exact Mass1731.37
IUPAC Namenickel;tetrakis(tris(2-ethylhexyl) phosphite)
SMILESCCCCC(CC)COP(OCC(CC)CCCC)OCC(CC)CCCC.CCCCC(CC)COP(OCC(CC)CCCC)OCC(CC)CCCC.CCCCC(CC)COP(OCC(CC)CCCC)OCC(CC)CCCC.CCCCC(CC)COP(OCC(CC)CCCC)OCC(CC)CCCC.[Ni]
InChIInChI=1S/4C24H51O3P.Ni/c4*1-7-13-16-22(10-4)19-25-28(26-20-23(11-5)17-14-8-2)27-21-24(12-6)18-15-9-3;/h4*22-24H,7-21H2,1-6H3;
InChIKeyYERHNJXKPPZDDC-UHFFFAOYSA-N
XLogP35.65
TPSA110.76 Ų
H-Bond Donors
H-Bond Acceptors12
Rotatable Bonds84
Heavy Atoms113
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001733.26
LogP ≤ 535.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1012

Computed Properties (RDKit)

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

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Related Compounds

tris(2-hexyldecyl) phosphite
CID 22752938
(3R)-3-[[(2R)-2-ethylhexoxy]methyl]heptane
CID 91827254
3-(2-ethylhexoxymethyl)heptane;titanium
CID 87161815
3-(difluoromethoxymethyl)heptane
CID 162429038
[(2S)-2-ethylhexyl] bis[(2R)-2-ethylhexyl] borate
CID 99771036
CID 88774019
CID 88774019
lithium;bis(2-ethyloctyl) hydrogen phosphite;hydride
CID 173436132
3-(heptan-3-yloxymethyl)heptane
CID 90211738
7-(2-ethylhexoxymethyl)pentadecane
CID 134599291
2-ethylhexoxymethanol
CID 18783221
2-[2-[2-[2-[2-(2-ethylhexoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethanol
CID 86129872
bis[bis(2-ethylhexoxy)phosphoryloxy]indiganyl bis(2-ethylhexyl) phosphate
CID 16704221

Frequently Asked Questions

What is the IUPAC name of nickel;tetrakis(tris(2-ethylhexyl) phosphite)?
The IUPAC name of nickel;tetrakis(tris(2-ethylhexyl) phosphite) (CID 14475286) is nickel;tetrakis(tris(2-ethylhexyl) phosphite).
What is the SMILES notation for nickel;tetrakis(tris(2-ethylhexyl) phosphite)?
The canonical SMILES for nickel;tetrakis(tris(2-ethylhexyl) phosphite) is CCCCC(CC)COP(OCC(CC)CCCC)OCC(CC)CCCC.CCCCC(CC)COP(OCC(CC)CCCC)OCC(CC)CCCC.CCCCC(CC)COP(OCC(CC)CCCC)OCC(CC)CCCC.CCCCC(CC)COP(OCC(CC)CCCC)OCC(CC)CCCC.[Ni].
What is the InChIKey of nickel;tetrakis(tris(2-ethylhexyl) phosphite)?
The InChIKey is YERHNJXKPPZDDC-UHFFFAOYSA-N. The full InChI is InChI=1S/4C24H51O3P.Ni/c4*1-7-13-16-22(10-4)19-25-28(26-20-23(11-5)17-14-8-2)27-21-24(12-6)18-15-9-3;/h4*22-24H,7-21H2,1-6H3;.
What are the key properties of nickel;tetrakis(tris(2-ethylhexyl) phosphite)?
nickel;tetrakis(tris(2-ethylhexyl) phosphite) has a molecular weight of 1733.26 g/mol, XLogP of 35.65, 84 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for nickel;tetrakis(tris(2-ethylhexyl) phosphite) is sourced from PubChem (CID 14475286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).