nickel(2+);rubidium(1+);triacetate;tetrahydrate

C6H17NiO10Rb — CID 175195152

IUPACnickel(2+);rubidium(1+);triacetate;tetrahydrate
SMILESCC(=O)[O-].CC(=O)[O-].CC(=O)[O-].O.O.O.O.[Ni+2].[Rb+]
InChIInChI=1S/3C2H4O2.Ni.4H2O.Rb/c3*1-2(3)4;;;;;;/h3*1H3,(H,3,4);;4*1H2;/q;;;+2;;;;;+1/p-3
InChIKeyBDSZVBYYDQYLQZ-UHFFFAOYSA-K
MW393.35 g/mol
LogP-10.03
Rot. Bonds

About nickel(2+);rubidium(1+);triacetate;tetrahydrate

nickel(2+);rubidium(1+);triacetate;tetrahydrate (PubChem CID 175195152) has the molecular formula C6H17NiO10Rb and a molecular weight of 393.35 g/mol. Its IUPAC name is nickel(2+);rubidium(1+);triacetate;tetrahydrate.

Molecular Properties

Compound Namenickel(2+);rubidium(1+);triacetate;tetrahydrate
PubChem CID175195152
Molecular FormulaC6H17NiO10Rb
Molecular Weight393.35 g/mol
Exact Mass391.93
IUPAC Namenickel(2+);rubidium(1+);triacetate;tetrahydrate
SMILESCC(=O)[O-].CC(=O)[O-].CC(=O)[O-].O.O.O.O.[Ni+2].[Rb+]
InChIInChI=1S/3C2H4O2.Ni.4H2O.Rb/c3*1-2(3)4;;;;;;/h3*1H3,(H,3,4);;4*1H2;/q;;;+2;;;;;+1/p-3
InChIKeyBDSZVBYYDQYLQZ-UHFFFAOYSA-K
XLogP-10.03
TPSA246.39 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.35
LogP ≤ 5-10.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze nickel(2+);rubidium(1+);triacetate;tetrahydrate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

dialuminum;triacetate;trihydroxide;hydrate
CID 173043947
sodium;zinc;acetate;hydroxide;dihydrate
CID 172844244
tetrasodium;tetraacetate;hydrate
CID 141360802
yttrium(3+);triacetate;hydrate
CID 57376990
vanadium;triacetate;hydrate
CID 102418603
sodium;acetate;trihydrate
CID 23665404
praseodymium(3+);triacetate;trihydrate
CID 172733090
iron(2+);diacetate;heptahydrate
CID 173209391
CID 170997536
CID 170997536
zinc;diacetate;heptahydrate
CID 161319738
tin(2+);diacetate;dihydrate
CID 174049693
strontium;acetate;hexahydrate
CID 19795582

Frequently Asked Questions

What is the IUPAC name of nickel(2+);rubidium(1+);triacetate;tetrahydrate?
The IUPAC name of nickel(2+);rubidium(1+);triacetate;tetrahydrate (CID 175195152) is nickel(2+);rubidium(1+);triacetate;tetrahydrate.
What is the SMILES notation for nickel(2+);rubidium(1+);triacetate;tetrahydrate?
The canonical SMILES for nickel(2+);rubidium(1+);triacetate;tetrahydrate is CC(=O)[O-].CC(=O)[O-].CC(=O)[O-].O.O.O.O.[Ni+2].[Rb+].
What is the InChIKey of nickel(2+);rubidium(1+);triacetate;tetrahydrate?
The InChIKey is BDSZVBYYDQYLQZ-UHFFFAOYSA-K. The full InChI is InChI=1S/3C2H4O2.Ni.4H2O.Rb/c3*1-2(3)4;;;;;;/h3*1H3,(H,3,4);;4*1H2;/q;;;+2;;;;;+1/p-3.
What are the key properties of nickel(2+);rubidium(1+);triacetate;tetrahydrate?
nickel(2+);rubidium(1+);triacetate;tetrahydrate has a molecular weight of 393.35 g/mol, XLogP of -10.03, 0 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for nickel(2+);rubidium(1+);triacetate;tetrahydrate is sourced from PubChem (CID 175195152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).