nickel;1,2,3,4,5-pentamethylcyclopenta-1,3-diene;1,2,3,4,5-pentamethylcyclopentane

C20H30Ni-6 — CID 11984772

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

About nickel;1,2,3,4,5-pentamethylcyclopenta-1,3-diene;1,2,3,4,5-pentamethylcyclopentane

nickel;1,2,3,4,5-pentamethylcyclopenta-1,3-diene;1,2,3,4,5-pentamethylcyclopentane (PubChem CID 11984772) has the molecular formula C20H30Ni-6 and a molecular weight of 329.15 g/mol. Its IUPAC name is nickel;1,2,3,4,5-pentamethylcyclopenta-1,3-diene;1,2,3,4,5-pentamethylcyclopentane.

Molecular Properties

Compound Namenickel;1,2,3,4,5-pentamethylcyclopenta-1,3-diene;1,2,3,4,5-pentamethylcyclopentane
PubChem CID11984772
Molecular FormulaC20H30Ni-6
Molecular Weight329.15 g/mol
Exact Mass328.17
IUPAC Namenickel;1,2,3,4,5-pentamethylcyclopenta-1,3-diene;1,2,3,4,5-pentamethylcyclopentane
SMILESC[c-]1[c-](C)[c-](C)[c-](C)[c-]1C.Cc1c(C)c(C)[c-](C)c1C.[Ni]
InChIInChI=1S/2C10H15.Ni/c2*1-6-7(2)9(4)10(5)8(6)3;/h2*1-5H3;/q-5;-1;
InChIKeyJLYFAOFYDLSGOE-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;1,2,3,4,5-pentamethylcyclopenta-1,3-diene;1,2,3,4,5-pentamethylcyclopentane?
The IUPAC name of nickel;1,2,3,4,5-pentamethylcyclopenta-1,3-diene;1,2,3,4,5-pentamethylcyclopentane (CID 11984772) is nickel;1,2,3,4,5-pentamethylcyclopenta-1,3-diene;1,2,3,4,5-pentamethylcyclopentane.
What is the SMILES notation for nickel;1,2,3,4,5-pentamethylcyclopenta-1,3-diene;1,2,3,4,5-pentamethylcyclopentane?
The canonical SMILES for nickel;1,2,3,4,5-pentamethylcyclopenta-1,3-diene;1,2,3,4,5-pentamethylcyclopentane is C[c-]1[c-](C)[c-](C)[c-](C)[c-]1C.Cc1c(C)c(C)[c-](C)c1C.[Ni].
What is the InChIKey of nickel;1,2,3,4,5-pentamethylcyclopenta-1,3-diene;1,2,3,4,5-pentamethylcyclopentane?
The InChIKey is JLYFAOFYDLSGOE-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;/q-5;-1;.
What are the key properties of nickel;1,2,3,4,5-pentamethylcyclopenta-1,3-diene;1,2,3,4,5-pentamethylcyclopentane?
nickel;1,2,3,4,5-pentamethylcyclopenta-1,3-diene;1,2,3,4,5-pentamethylcyclopentane 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;1,2,3,4,5-pentamethylcyclopenta-1,3-diene;1,2,3,4,5-pentamethylcyclopentane is sourced from PubChem (CID 11984772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).