nickel;tetrakis(tripropoxyphosphanium)

C36H88NiO12P4+4 — CID 88816473

IUPACnickel;tetrakis(tripropoxyphosphanium)
SMILESCCCO[PH+](OCCC)OCCC.CCCO[PH+](OCCC)OCCC.CCCO[PH+](OCCC)OCCC.CCCO[PH+](OCCC)OCCC.[Ni]
InChIInChI=1S/4C9H22O3P.Ni/c4*1-4-7-10-13(11-8-5-2)12-9-6-3;/h4*13H,4-9H2,1-3H3;/q4*+1;
InChIKeyGWZDSADMWDEXDU-UHFFFAOYSA-N
MW895.68 g/mol
LogP12.90
Rot. Bonds36

About nickel;tetrakis(tripropoxyphosphanium)

nickel;tetrakis(tripropoxyphosphanium) (PubChem CID 88816473) has the molecular formula C36H88NiO12P4+4 and a molecular weight of 895.68 g/mol. Its IUPAC name is nickel;tetrakis(tripropoxyphosphanium).

Molecular Properties

Compound Namenickel;tetrakis(tripropoxyphosphanium)
PubChem CID88816473
Molecular FormulaC36H88NiO12P4+4
Molecular Weight895.68 g/mol
Exact Mass894.46
IUPAC Namenickel;tetrakis(tripropoxyphosphanium)
SMILESCCCO[PH+](OCCC)OCCC.CCCO[PH+](OCCC)OCCC.CCCO[PH+](OCCC)OCCC.CCCO[PH+](OCCC)OCCC.[Ni]
InChIInChI=1S/4C9H22O3P.Ni/c4*1-4-7-10-13(11-8-5-2)12-9-6-3;/h4*13H,4-9H2,1-3H3;/q4*+1;
InChIKeyGWZDSADMWDEXDU-UHFFFAOYSA-N
XLogP12.90
TPSA110.76 Ų
H-Bond Donors
H-Bond Acceptors12
Rotatable Bonds36
Heavy Atoms53
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500895.68
LogP ≤ 512.90
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

1,2-dipropoxyhydrazine
CID 151105951
CID 173245652
CID 173245652
2-methyl-1-propoxybut-1-ene
CID 91198308
ethane;propane;1-propoxypropane
CID 143757970
propoxygermane
CID 154156354
2,3,4-trimethyl-1-propoxypentane
CID 121286105
pentapropoxy-λ5-stibane
CID 16703362
dipropoxytin
CID 16704403
1-(1,2,2-tripropoxyethenoxy)propane
CID 12561622
1-ethoxypropane;methane
CID 158784820
potassium 1-oxidooxypropane
CID 18736906
ethane;1-methoxypropane;propane
CID 145001283

Frequently Asked Questions

What is the IUPAC name of nickel;tetrakis(tripropoxyphosphanium)?
The IUPAC name of nickel;tetrakis(tripropoxyphosphanium) (CID 88816473) is nickel;tetrakis(tripropoxyphosphanium).
What is the SMILES notation for nickel;tetrakis(tripropoxyphosphanium)?
The canonical SMILES for nickel;tetrakis(tripropoxyphosphanium) is CCCO[PH+](OCCC)OCCC.CCCO[PH+](OCCC)OCCC.CCCO[PH+](OCCC)OCCC.CCCO[PH+](OCCC)OCCC.[Ni].
What is the InChIKey of nickel;tetrakis(tripropoxyphosphanium)?
The InChIKey is GWZDSADMWDEXDU-UHFFFAOYSA-N. The full InChI is InChI=1S/4C9H22O3P.Ni/c4*1-4-7-10-13(11-8-5-2)12-9-6-3;/h4*13H,4-9H2,1-3H3;/q4*+1;.
What are the key properties of nickel;tetrakis(tripropoxyphosphanium)?
nickel;tetrakis(tripropoxyphosphanium) has a molecular weight of 895.68 g/mol, XLogP of 12.90, 36 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for nickel;tetrakis(tripropoxyphosphanium) is sourced from PubChem (CID 88816473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).