tetrakis((2,2-dimethyl-1-phenylpropoxy)-dihydroxyphosphanium);nickel

C44H72NiO12P4+4 — CID 88804753

IUPACtetrakis((2,2-dimethyl-1-phenylpropoxy)-dihydroxyphosphanium);nickel
SMILESCC(C)(C)C(O[PH+](O)O)c1ccccc1.CC(C)(C)C(O[PH+](O)O)c1ccccc1.CC(C)(C)C(O[PH+](O)O)c1ccccc1.CC(C)(C)C(O[PH+](O)O)c1ccccc1.[Ni]
InChIInChI=1S/4C11H18O3P.Ni/c4*1-11(2,3)10(14-15(12)13)9-7-5-4-6-8-9;/h4*4-8,10,12-13,15H,1-3H3;/q4*+1;
InChIKeySYYOAXFLBIKJRQ-UHFFFAOYSA-N
MW975.64 g/mol
LogP10.93
Rot. Bonds12

About tetrakis((2,2-dimethyl-1-phenylpropoxy)-dihydroxyphosphanium);nickel

tetrakis((2,2-dimethyl-1-phenylpropoxy)-dihydroxyphosphanium);nickel (PubChem CID 88804753) has the molecular formula C44H72NiO12P4+4 and a molecular weight of 975.64 g/mol. Its IUPAC name is tetrakis((2,2-dimethyl-1-phenylpropoxy)-dihydroxyphosphanium);nickel.

Molecular Properties

Compound Nametetrakis((2,2-dimethyl-1-phenylpropoxy)-dihydroxyphosphanium);nickel
PubChem CID88804753
Molecular FormulaC44H72NiO12P4+4
Molecular Weight975.64 g/mol
Exact Mass974.33
IUPAC Nametetrakis((2,2-dimethyl-1-phenylpropoxy)-dihydroxyphosphanium);nickel
SMILESCC(C)(C)C(O[PH+](O)O)c1ccccc1.CC(C)(C)C(O[PH+](O)O)c1ccccc1.CC(C)(C)C(O[PH+](O)O)c1ccccc1.CC(C)(C)C(O[PH+](O)O)c1ccccc1.[Ni]
InChIInChI=1S/4C11H18O3P.Ni/c4*1-11(2,3)10(14-15(12)13)9-7-5-4-6-8-9;/h4*4-8,10,12-13,15H,1-3H3;/q4*+1;
InChIKeySYYOAXFLBIKJRQ-UHFFFAOYSA-N
XLogP10.93
TPSA198.76 Ų
H-Bond Donors8
H-Bond Acceptors12
Rotatable Bonds12
Heavy Atoms61
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 500975.64
LogP ≤ 510.93
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 1012

Computed Properties (RDKit)

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

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Related Compounds

bis(2,2-dimethyl-1-phenylpropyl) carbonate
CID 139502993
[(1R)-2,2-dimethyl-1-phenylpropoxy]-trimethylsilane
CID 101471174
4-methoxy-3,3-dimethyl-4-phenylbutan-2-one
CID 10420523
3-methoxy-2,2-dimethyl-1,3-diphenylpropan-1-one
CID 100923277
(2,2-dimethyl-1-phenylpropoxy)imino-oxosilane
CID 139777207
(1R,3R)-2,2-dimethyl-1,3-diphenylpropane-1,3-diol
CID 100943216
(3S)-3-methoxy-2,2-dimethyl-3-phenylpropan-1-ol
CID 14871890
N,N,N',N'-tetratert-butyl-1-phenylmethanediamine
CID 132599756
(1S)-2-amino-2-methyl-1-phenylpropan-1-ol
CID 38988546
2,2-dimethyl-1,3-diphenyl-3-trimethylsilyloxypropan-1-one
CID 122206427
[(1R,3R)-3-hydroxy-2,2-dimethyl-1,3-diphenylpropyl] benzoate
CID 15182984
(1S,2R)-2,3-dimethyl-1-phenylbut-3-ene-1,2-diol
CID 101475003

Frequently Asked Questions

What is the IUPAC name of tetrakis((2,2-dimethyl-1-phenylpropoxy)-dihydroxyphosphanium);nickel?
The IUPAC name of tetrakis((2,2-dimethyl-1-phenylpropoxy)-dihydroxyphosphanium);nickel (CID 88804753) is tetrakis((2,2-dimethyl-1-phenylpropoxy)-dihydroxyphosphanium);nickel.
What is the SMILES notation for tetrakis((2,2-dimethyl-1-phenylpropoxy)-dihydroxyphosphanium);nickel?
The canonical SMILES for tetrakis((2,2-dimethyl-1-phenylpropoxy)-dihydroxyphosphanium);nickel is CC(C)(C)C(O[PH+](O)O)c1ccccc1.CC(C)(C)C(O[PH+](O)O)c1ccccc1.CC(C)(C)C(O[PH+](O)O)c1ccccc1.CC(C)(C)C(O[PH+](O)O)c1ccccc1.[Ni].
What is the InChIKey of tetrakis((2,2-dimethyl-1-phenylpropoxy)-dihydroxyphosphanium);nickel?
The InChIKey is SYYOAXFLBIKJRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/4C11H18O3P.Ni/c4*1-11(2,3)10(14-15(12)13)9-7-5-4-6-8-9;/h4*4-8,10,12-13,15H,1-3H3;/q4*+1;.
What are the key properties of tetrakis((2,2-dimethyl-1-phenylpropoxy)-dihydroxyphosphanium);nickel?
tetrakis((2,2-dimethyl-1-phenylpropoxy)-dihydroxyphosphanium);nickel has a molecular weight of 975.64 g/mol, XLogP of 10.93, 12 rotatable bonds, 8 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for tetrakis((2,2-dimethyl-1-phenylpropoxy)-dihydroxyphosphanium);nickel is sourced from PubChem (CID 88804753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).