nickel(2+);bis(1,2,3,4,5-pentamethylcyclopenta-1,3-diene)

C20H30Ni — CID 5148230

IUPACnickel(2+);bis(1,2,3,4,5-pentamethylcyclopenta-1,3-diene)
SMILESCc1c(C)c(C)[c-](C)c1C.Cc1c(C)c(C)[c-](C)c1C.[Ni+2]
InChIInChI=1S/2C10H15.Ni/c2*1-6-7(2)9(4)10(5)8(6)3;/h2*1-5H3;/q2*-1;+2
InChIKeyFPOBXNYAWLLCGZ-UHFFFAOYSA-N
MW329.15 g/mol
LogP5.89
Rot. Bonds

About nickel(2+);bis(1,2,3,4,5-pentamethylcyclopenta-1,3-diene)

nickel(2+);bis(1,2,3,4,5-pentamethylcyclopenta-1,3-diene) (PubChem CID 5148230) has the molecular formula C20H30Ni and a molecular weight of 329.15 g/mol. Its IUPAC name is nickel(2+);bis(1,2,3,4,5-pentamethylcyclopenta-1,3-diene).

Molecular Properties

Compound Namenickel(2+);bis(1,2,3,4,5-pentamethylcyclopenta-1,3-diene)
PubChem CID5148230
Molecular FormulaC20H30Ni
Molecular Weight329.15 g/mol
Exact Mass328.17
IUPAC Namenickel(2+);bis(1,2,3,4,5-pentamethylcyclopenta-1,3-diene)
SMILESCc1c(C)c(C)[c-](C)c1C.Cc1c(C)c(C)[c-](C)c1C.[Ni+2]
InChIInChI=1S/2C10H15.Ni/c2*1-6-7(2)9(4)10(5)8(6)3;/h2*1-5H3;/q2*-1;+2
InChIKeyFPOBXNYAWLLCGZ-UHFFFAOYSA-N
XLogP5.89
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500329.15
LogP ≤ 55.89
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 nickel(2+);bis(1,2,3,4,5-pentamethylcyclopenta-1,3-diene)?
The IUPAC name of nickel(2+);bis(1,2,3,4,5-pentamethylcyclopenta-1,3-diene) (CID 5148230) is nickel(2+);bis(1,2,3,4,5-pentamethylcyclopenta-1,3-diene).
What is the SMILES notation for nickel(2+);bis(1,2,3,4,5-pentamethylcyclopenta-1,3-diene)?
The canonical SMILES for nickel(2+);bis(1,2,3,4,5-pentamethylcyclopenta-1,3-diene) is Cc1c(C)c(C)[c-](C)c1C.Cc1c(C)c(C)[c-](C)c1C.[Ni+2].
What is the InChIKey of nickel(2+);bis(1,2,3,4,5-pentamethylcyclopenta-1,3-diene)?
The InChIKey is FPOBXNYAWLLCGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/2C10H15.Ni/c2*1-6-7(2)9(4)10(5)8(6)3;/h2*1-5H3;/q2*-1;+2.
What are the key properties of nickel(2+);bis(1,2,3,4,5-pentamethylcyclopenta-1,3-diene)?
nickel(2+);bis(1,2,3,4,5-pentamethylcyclopenta-1,3-diene) has a molecular weight of 329.15 g/mol, XLogP of 5.89, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for nickel(2+);bis(1,2,3,4,5-pentamethylcyclopenta-1,3-diene) is sourced from PubChem (CID 5148230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).