tetrakis(2-chloroethyl dicyclohexyl phosphite);nickel

C56H104Cl4NiO12P4 — CID 173453554

IUPACtetrakis(2-chloroethyl dicyclohexyl phosphite);nickel
SMILESClCCOP(OC1CCCCC1)OC1CCCCC1.ClCCOP(OC1CCCCC1)OC1CCCCC1.ClCCOP(OC1CCCCC1)OC1CCCCC1.ClCCOP(OC1CCCCC1)OC1CCCCC1.[Ni]
InChIInChI=1S/4C14H26ClO3P.Ni/c4*15-11-12-16-19(17-13-7-3-1-4-8-13)18-14-9-5-2-6-10-14;/h4*13-14H,1-12H2;
InChIKeyDGJAXXIALWYJPA-UHFFFAOYSA-N
MW1293.84 g/mol
LogP20.67
Rot. Bonds28

About tetrakis(2-chloroethyl dicyclohexyl phosphite);nickel

tetrakis(2-chloroethyl dicyclohexyl phosphite);nickel (PubChem CID 173453554) has the molecular formula C56H104Cl4NiO12P4 and a molecular weight of 1293.84 g/mol. Its IUPAC name is tetrakis(2-chloroethyl dicyclohexyl phosphite);nickel.

Molecular Properties

Compound Nametetrakis(2-chloroethyl dicyclohexyl phosphite);nickel
PubChem CID173453554
Molecular FormulaC56H104Cl4NiO12P4
Molecular Weight1293.84 g/mol
Exact Mass1290.46
IUPAC Nametetrakis(2-chloroethyl dicyclohexyl phosphite);nickel
SMILESClCCOP(OC1CCCCC1)OC1CCCCC1.ClCCOP(OC1CCCCC1)OC1CCCCC1.ClCCOP(OC1CCCCC1)OC1CCCCC1.ClCCOP(OC1CCCCC1)OC1CCCCC1.[Ni]
InChIInChI=1S/4C14H26ClO3P.Ni/c4*15-11-12-16-19(17-13-7-3-1-4-8-13)18-14-9-5-2-6-10-14;/h4*13-14H,1-12H2;
InChIKeyDGJAXXIALWYJPA-UHFFFAOYSA-N
XLogP20.67
TPSA110.76 Ų
H-Bond Donors
H-Bond Acceptors12
Rotatable Bonds28
Heavy Atoms77
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001293.84
LogP ≤ 520.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1012

Computed Properties (RDKit)

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

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Related Compounds

nickel;tetrakis(tricyclohexyl phosphite)
CID 173453545
tricyclododecyl phosphite
CID 126731698
tricyclooctyl phosphite
CID 67250015
benzene;tricyclohexyl phosphite
CID 70561522
dichloro(cyclododecyloxy)phosphane
CID 54169601
cyclopropyl dipropyl phosphite
CID 141234416
cyclohexyl phenyl undecyl phosphite
CID 101312055
cyclohexyloxy-(2-methoxyethoxy)-(2-methoxyethyl)phosphane
CID 57141247
antimony(3+);tris(dicyclohexyl phosphite)
CID 23464194
cyclohexyl pentyl hydrogen phosphite
CID 174258819
chloro(dicyclohexyloxymethoxy)silane
CID 173155113
cyclohexyl phosphite;ethene
CID 22165796

Frequently Asked Questions

What is the IUPAC name of tetrakis(2-chloroethyl dicyclohexyl phosphite);nickel?
The IUPAC name of tetrakis(2-chloroethyl dicyclohexyl phosphite);nickel (CID 173453554) is tetrakis(2-chloroethyl dicyclohexyl phosphite);nickel.
What is the SMILES notation for tetrakis(2-chloroethyl dicyclohexyl phosphite);nickel?
The canonical SMILES for tetrakis(2-chloroethyl dicyclohexyl phosphite);nickel is ClCCOP(OC1CCCCC1)OC1CCCCC1.ClCCOP(OC1CCCCC1)OC1CCCCC1.ClCCOP(OC1CCCCC1)OC1CCCCC1.ClCCOP(OC1CCCCC1)OC1CCCCC1.[Ni].
What is the InChIKey of tetrakis(2-chloroethyl dicyclohexyl phosphite);nickel?
The InChIKey is DGJAXXIALWYJPA-UHFFFAOYSA-N. The full InChI is InChI=1S/4C14H26ClO3P.Ni/c4*15-11-12-16-19(17-13-7-3-1-4-8-13)18-14-9-5-2-6-10-14;/h4*13-14H,1-12H2;.
What are the key properties of tetrakis(2-chloroethyl dicyclohexyl phosphite);nickel?
tetrakis(2-chloroethyl dicyclohexyl phosphite);nickel has a molecular weight of 1293.84 g/mol, XLogP of 20.67, 28 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for tetrakis(2-chloroethyl dicyclohexyl phosphite);nickel is sourced from PubChem (CID 173453554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).