hydroxy-[2-[hydroxy(oxo)phosphaniumyl]oxyethoxy]-oxophosphanium;nickel

C2H6NiO6P2+2 — CID 174980367

IUPAChydroxy-[2-[hydroxy(oxo)phosphaniumyl]oxyethoxy]-oxophosphanium;nickel
SMILESO=[P+](O)OCCO[P+](=O)O.[Ni]
InChIInChI=1S/C2H4O6P2.Ni/c3-9(4)7-1-2-8-10(5)6;/h1-2H2;/p+2
InChIKeyOOLOGVWZQDLMDS-UHFFFAOYSA-P
MW246.70 g/mol
LogP0.32
Rot. Bonds5

About hydroxy-[2-[hydroxy(oxo)phosphaniumyl]oxyethoxy]-oxophosphanium;nickel

hydroxy-[2-[hydroxy(oxo)phosphaniumyl]oxyethoxy]-oxophosphanium;nickel (PubChem CID 174980367) has the molecular formula C2H6NiO6P2+2 and a molecular weight of 246.70 g/mol. Its IUPAC name is hydroxy-[2-[hydroxy(oxo)phosphaniumyl]oxyethoxy]-oxophosphanium;nickel.

Molecular Properties

Compound Namehydroxy-[2-[hydroxy(oxo)phosphaniumyl]oxyethoxy]-oxophosphanium;nickel
PubChem CID174980367
Molecular FormulaC2H6NiO6P2+2
Molecular Weight246.70 g/mol
Exact Mass245.90
IUPAC Namehydroxy-[2-[hydroxy(oxo)phosphaniumyl]oxyethoxy]-oxophosphanium;nickel
SMILESO=[P+](O)OCCO[P+](=O)O.[Ni]
InChIInChI=1S/C2H4O6P2.Ni/c3-9(4)7-1-2-8-10(5)6;/h1-2H2;/p+2
InChIKeyOOLOGVWZQDLMDS-UHFFFAOYSA-P
XLogP0.32
TPSA93.06 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.70
LogP ≤ 50.32
H-Bond Donors ≤ 52
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

2-aminoethoxy-hydroxy-oxophosphanium
CID 18512670
3-bromopropoxy-hydroxy-oxophosphanium
CID 87515088
hydroxy-(12-hydroxydodecoxy)-oxophosphanium
CID 172856104
4-bromobutoxy-hydroxy-oxophosphanium
CID 13262446
2-[hydroxy(oxo)phosphaniumyl]oxyethyl-trimethylazanium
CID 19977615
dipotassium;butoxy-hydroxy-oxophosphanium;hydride
CID 173240292
hydroxy-oxo-(4-oxobutoxy)phosphanium
CID 172768343
alumane;hydroxy-oxo-pentoxyphosphanium
CID 175153464
hydroxy-oxo-(6-phosphooxyhexoxy)phosphanium
CID 22644301
butoxy-hydroxy-oxophosphanium;hexadecane
CID 87605082
2-bromoethoxy-hydroxy-oxophosphanium;N,N-dimethylmethanamine
CID 174957638
hydroxy-oxo-(2-phenoxyethoxy)phosphanium
CID 126570180

Frequently Asked Questions

What is the IUPAC name of hydroxy-[2-[hydroxy(oxo)phosphaniumyl]oxyethoxy]-oxophosphanium;nickel?
The IUPAC name of hydroxy-[2-[hydroxy(oxo)phosphaniumyl]oxyethoxy]-oxophosphanium;nickel (CID 174980367) is hydroxy-[2-[hydroxy(oxo)phosphaniumyl]oxyethoxy]-oxophosphanium;nickel.
What is the SMILES notation for hydroxy-[2-[hydroxy(oxo)phosphaniumyl]oxyethoxy]-oxophosphanium;nickel?
The canonical SMILES for hydroxy-[2-[hydroxy(oxo)phosphaniumyl]oxyethoxy]-oxophosphanium;nickel is O=[P+](O)OCCO[P+](=O)O.[Ni].
What is the InChIKey of hydroxy-[2-[hydroxy(oxo)phosphaniumyl]oxyethoxy]-oxophosphanium;nickel?
The InChIKey is OOLOGVWZQDLMDS-UHFFFAOYSA-P. The full InChI is InChI=1S/C2H4O6P2.Ni/c3-9(4)7-1-2-8-10(5)6;/h1-2H2;/p+2.
What are the key properties of hydroxy-[2-[hydroxy(oxo)phosphaniumyl]oxyethoxy]-oxophosphanium;nickel?
hydroxy-[2-[hydroxy(oxo)phosphaniumyl]oxyethoxy]-oxophosphanium;nickel has a molecular weight of 246.70 g/mol, XLogP of 0.32, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for hydroxy-[2-[hydroxy(oxo)phosphaniumyl]oxyethoxy]-oxophosphanium;nickel is sourced from PubChem (CID 174980367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).