butane;iodonickel

C4H9INi- — CID 154314536

IUPACbutane;iodonickel
SMILES[CH2-]CCC.[Ni]I
InChIInChI=1S/C4H9.HI.Ni/c1-3-4-2;;/h1,3-4H2,2H3;1H;/q-1;;+1/p-1
InChIKeyQZLVYZPPUOPCRF-UHFFFAOYSA-M
MW242.71 g/mol
LogP2.50
Rot. Bonds1

About butane;iodonickel

butane;iodonickel (PubChem CID 154314536) has the molecular formula C4H9INi- and a molecular weight of 242.71 g/mol. Its IUPAC name is butane;iodonickel.

Molecular Properties

Compound Namebutane;iodonickel
PubChem CID154314536
Molecular FormulaC4H9INi-
Molecular Weight242.71 g/mol
Exact Mass241.91
IUPAC Namebutane;iodonickel
SMILES[CH2-]CCC.[Ni]I
InChIInChI=1S/C4H9.HI.Ni/c1-3-4-2;;/h1,3-4H2,2H3;1H;/q-1;;+1/p-1
InChIKeyQZLVYZPPUOPCRF-UHFFFAOYSA-M
XLogP2.50
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.71
LogP ≤ 52.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

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CID 21057379
butane;lithium(1-)
CID 154172744
butane;tris(rubidium(1+))
CID 59203345
potassium;butane;trihydrofluoride
CID 175562651
butane;carbanide;zirconium(4+)
CID 154094622
butane;rhodium(3+);hydrochloride
CID 87753189
magnesium;butane;chloride
CID 6101660
butane;carbanide;tungsten(2+);yttrium
CID 167712375
lithium;magnesium;butane
CID 24940261

Frequently Asked Questions

What is the IUPAC name of butane;iodonickel?
The IUPAC name of butane;iodonickel (CID 154314536) is butane;iodonickel.
What is the SMILES notation for butane;iodonickel?
The canonical SMILES for butane;iodonickel is [CH2-]CCC.[Ni]I.
What is the InChIKey of butane;iodonickel?
The InChIKey is QZLVYZPPUOPCRF-UHFFFAOYSA-M. The full InChI is InChI=1S/C4H9.HI.Ni/c1-3-4-2;;/h1,3-4H2,2H3;1H;/q-1;;+1/p-1.
What are the key properties of butane;iodonickel?
butane;iodonickel has a molecular weight of 242.71 g/mol, XLogP of 2.50, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for butane;iodonickel is sourced from PubChem (CID 154314536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).