methanol;nickel;hydrate

CH5NiO2- — CID 172697123

IUPACmethanol;nickel;hydrate
SMILESO.[CH2-]O.[Ni]
InChIInChI=1S/CH3O.Ni.H2O/c1-2;;/h2H,1H2;;1H2/q-1;;
InChIKeyNMPDPKOWXDUCFM-UHFFFAOYSA-N
MW107.74 g/mol
LogP-0.68
Rot. Bonds

About methanol;nickel;hydrate

methanol;nickel;hydrate (PubChem CID 172697123) has the molecular formula CH5NiO2- and a molecular weight of 107.74 g/mol. Its IUPAC name is methanol;nickel;hydrate.

Molecular Properties

Compound Namemethanol;nickel;hydrate
PubChem CID172697123
Molecular FormulaCH5NiO2-
Molecular Weight107.74 g/mol
Exact Mass106.96
IUPAC Namemethanol;nickel;hydrate
SMILESO.[CH2-]O.[Ni]
InChIInChI=1S/CH3O.Ni.H2O/c1-2;;/h2H,1H2;;1H2/q-1;;
InChIKeyNMPDPKOWXDUCFM-UHFFFAOYSA-N
XLogP-0.68
TPSA51.73 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms4
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500107.74
LogP ≤ 5-0.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of methanol;nickel;hydrate?
The IUPAC name of methanol;nickel;hydrate (CID 172697123) is methanol;nickel;hydrate.
What is the SMILES notation for methanol;nickel;hydrate?
The canonical SMILES for methanol;nickel;hydrate is O.[CH2-]O.[Ni].
What is the InChIKey of methanol;nickel;hydrate?
The InChIKey is NMPDPKOWXDUCFM-UHFFFAOYSA-N. The full InChI is InChI=1S/CH3O.Ni.H2O/c1-2;;/h2H,1H2;;1H2/q-1;;.
What are the key properties of methanol;nickel;hydrate?
methanol;nickel;hydrate has a molecular weight of 107.74 g/mol, XLogP of -0.68, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for methanol;nickel;hydrate is sourced from PubChem (CID 172697123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).