cyclopenta-1,3-diene;nickel(2+);triethylphosphane;iodide

C11H20INiP — CID 88816898

IUPACcyclopenta-1,3-diene;nickel(2+);triethylphosphane;iodide
SMILESCCP(CC)CC.[C-]1=CC=CC1.[I-].[Ni+2]
InChIInChI=1S/C6H15P.C5H5.HI.Ni/c1-4-7(5-2)6-3;1-2-4-5-3-1;;/h4-6H2,1-3H3;1-3H,4H2;1H;/q;-1;;+2/p-1
InChIKeyBOGLOOBRXAVBIW-UHFFFAOYSA-M
MW368.85 g/mol
LogP0.84
Rot. Bonds3

About cyclopenta-1,3-diene;nickel(2+);triethylphosphane;iodide

cyclopenta-1,3-diene;nickel(2+);triethylphosphane;iodide (PubChem CID 88816898) has the molecular formula C11H20INiP and a molecular weight of 368.85 g/mol. Its IUPAC name is cyclopenta-1,3-diene;nickel(2+);triethylphosphane;iodide.

Molecular Properties

Compound Namecyclopenta-1,3-diene;nickel(2+);triethylphosphane;iodide
PubChem CID88816898
Molecular FormulaC11H20INiP
Molecular Weight368.85 g/mol
Exact Mass367.97
IUPAC Namecyclopenta-1,3-diene;nickel(2+);triethylphosphane;iodide
SMILESCCP(CC)CC.[C-]1=CC=CC1.[I-].[Ni+2]
InChIInChI=1S/C6H15P.C5H5.HI.Ni/c1-4-7(5-2)6-3;1-2-4-5-3-1;;/h4-6H2,1-3H3;1-3H,4H2;1H;/q;-1;;+2/p-1
InChIKeyBOGLOOBRXAVBIW-UHFFFAOYSA-M
XLogP0.84
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.85
LogP ≤ 50.84
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'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of cyclopenta-1,3-diene;nickel(2+);triethylphosphane;iodide?
The IUPAC name of cyclopenta-1,3-diene;nickel(2+);triethylphosphane;iodide (CID 88816898) is cyclopenta-1,3-diene;nickel(2+);triethylphosphane;iodide.
What is the SMILES notation for cyclopenta-1,3-diene;nickel(2+);triethylphosphane;iodide?
The canonical SMILES for cyclopenta-1,3-diene;nickel(2+);triethylphosphane;iodide is CCP(CC)CC.[C-]1=CC=CC1.[I-].[Ni+2].
What is the InChIKey of cyclopenta-1,3-diene;nickel(2+);triethylphosphane;iodide?
The InChIKey is BOGLOOBRXAVBIW-UHFFFAOYSA-M. The full InChI is InChI=1S/C6H15P.C5H5.HI.Ni/c1-4-7(5-2)6-3;1-2-4-5-3-1;;/h4-6H2,1-3H3;1-3H,4H2;1H;/q;-1;;+2/p-1.
What are the key properties of cyclopenta-1,3-diene;nickel(2+);triethylphosphane;iodide?
cyclopenta-1,3-diene;nickel(2+);triethylphosphane;iodide has a molecular weight of 368.85 g/mol, XLogP of 0.84, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopenta-1,3-diene;nickel(2+);triethylphosphane;iodide is sourced from PubChem (CID 88816898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).