butane;nickel

C4H9Ni- — CID 57419181

IUPACbutane;nickel
SMILES[CH2-]CCC.[Ni]
InChIInChI=1S/C4H9.Ni/c1-3-4-2;/h1,3-4H2,2H3;/q-1;
InChIKeyHHRVBEVMQBTOKY-UHFFFAOYSA-N
MW115.81 g/mol
LogP1.62
Rot. Bonds1

About butane;nickel

butane;nickel (PubChem CID 57419181) has the molecular formula C4H9Ni- and a molecular weight of 115.81 g/mol. Its IUPAC name is butane;nickel.

Molecular Properties

Compound Namebutane;nickel
PubChem CID57419181
Molecular FormulaC4H9Ni-
Molecular Weight115.81 g/mol
Exact Mass115.01
IUPAC Namebutane;nickel
SMILES[CH2-]CCC.[Ni]
InChIInChI=1S/C4H9.Ni/c1-3-4-2;/h1,3-4H2,2H3;/q-1;
InChIKeyHHRVBEVMQBTOKY-UHFFFAOYSA-N
XLogP1.62
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms5
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500115.81
LogP ≤ 51.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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 butane;nickel?
The IUPAC name of butane;nickel (CID 57419181) is butane;nickel.
What is the SMILES notation for butane;nickel?
The canonical SMILES for butane;nickel is [CH2-]CCC.[Ni].
What is the InChIKey of butane;nickel?
The InChIKey is HHRVBEVMQBTOKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H9.Ni/c1-3-4-2;/h1,3-4H2,2H3;/q-1;.
What are the key properties of butane;nickel?
butane;nickel has a molecular weight of 115.81 g/mol, XLogP of 1.62, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for butane;nickel is sourced from PubChem (CID 57419181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).