ethane;nickel(2+);dihydrochloride

C4H12Cl2Ni — CID 175424939

IUPACethane;nickel(2+);dihydrochloride
SMILESCl.Cl.[CH2-]C.[CH2-]C.[Ni+2]
InChIInChI=1S/2C2H5.2ClH.Ni/c2*1-2;;;/h2*1H2,2H3;2*1H;/q2*-1;;;+2
InChIKeyXRAXTKZVRJXVCT-UHFFFAOYSA-N
MW189.74 g/mol
LogP2.52
Rot. Bonds

About ethane;nickel(2+);dihydrochloride

ethane;nickel(2+);dihydrochloride (PubChem CID 175424939) has the molecular formula C4H12Cl2Ni and a molecular weight of 189.74 g/mol. Its IUPAC name is ethane;nickel(2+);dihydrochloride.

Molecular Properties

Compound Nameethane;nickel(2+);dihydrochloride
PubChem CID175424939
Molecular FormulaC4H12Cl2Ni
Molecular Weight189.74 g/mol
Exact Mass187.97
IUPAC Nameethane;nickel(2+);dihydrochloride
SMILESCl.Cl.[CH2-]C.[CH2-]C.[Ni+2]
InChIInChI=1S/2C2H5.2ClH.Ni/c2*1-2;;;/h2*1H2,2H3;2*1H;/q2*-1;;;+2
InChIKeyXRAXTKZVRJXVCT-UHFFFAOYSA-N
XLogP2.52
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.74
LogP ≤ 52.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze ethane;nickel(2+);dihydrochloride with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of ethane;nickel(2+);dihydrochloride?
The IUPAC name of ethane;nickel(2+);dihydrochloride (CID 175424939) is ethane;nickel(2+);dihydrochloride.
What is the SMILES notation for ethane;nickel(2+);dihydrochloride?
The canonical SMILES for ethane;nickel(2+);dihydrochloride is Cl.Cl.[CH2-]C.[CH2-]C.[Ni+2].
What is the InChIKey of ethane;nickel(2+);dihydrochloride?
The InChIKey is XRAXTKZVRJXVCT-UHFFFAOYSA-N. The full InChI is InChI=1S/2C2H5.2ClH.Ni/c2*1-2;;;/h2*1H2,2H3;2*1H;/q2*-1;;;+2.
What are the key properties of ethane;nickel(2+);dihydrochloride?
ethane;nickel(2+);dihydrochloride has a molecular weight of 189.74 g/mol, XLogP of 2.52, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;nickel(2+);dihydrochloride is sourced from PubChem (CID 175424939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).