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

C10H15Ni- — CID 141169485

IUPACnickel;1,2,3,4,5-pentamethylcyclopenta-1,3-diene
SMILESCc1c(C)c(C)[c-](C)c1C.[Ni]
InChIInChI=1S/C10H15.Ni/c1-6-7(2)9(4)10(5)8(6)3;/h1-5H3;/q-1;
InChIKeyKXSBKTVSDZWKJP-UHFFFAOYSA-N
MW193.92 g/mol
LogP2.95
Rot. Bonds

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

nickel;1,2,3,4,5-pentamethylcyclopenta-1,3-diene (PubChem CID 141169485) has the molecular formula C10H15Ni- and a molecular weight of 193.92 g/mol. Its IUPAC name is nickel;1,2,3,4,5-pentamethylcyclopenta-1,3-diene.

Molecular Properties

Compound Namenickel;1,2,3,4,5-pentamethylcyclopenta-1,3-diene
PubChem CID141169485
Molecular FormulaC10H15Ni-
Molecular Weight193.92 g/mol
Exact Mass193.05
IUPAC Namenickel;1,2,3,4,5-pentamethylcyclopenta-1,3-diene
SMILESCc1c(C)c(C)[c-](C)c1C.[Ni]
InChIInChI=1S/C10H15.Ni/c1-6-7(2)9(4)10(5)8(6)3;/h1-5H3;/q-1;
InChIKeyKXSBKTVSDZWKJP-UHFFFAOYSA-N
XLogP2.95
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.92
LogP ≤ 52.95
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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Related Compounds

nickel;1,2,3,4,5-pentamethylcyclopenta-1,3-diene;1,2,3,4,5-pentamethylcyclopentane
CID 11984772
1,2,3,4,5-pentamethylcyclopenta-1,3-diene;ruthenium(2+)
CID 154465312
nickel(2+);bis(1,2,3,4,5-pentamethylcyclopenta-1,3-diene)
CID 5148230
iron;1,2,3,4,5-pentamethylcyclopenta-1,3-diene
CID 141410099
bis(1,2,3,4,5-pentamethylcyclopenta-1,3-diene);bis(titanium(4+));diiodide
CID 172696941
carbanide;1,2,3,4,5-pentamethylcyclopenta-1,3-diene;tantalum(5+)
CID 15777144
carbanide;chromium(3+);1,2,3,4,5-pentamethylcyclopenta-1,3-diene
CID 139722502
hafnium(4+);bis(1,2,3,4,5-pentamethylcyclopenta-1,3-diene);dichloride
CID 87375739
methanol;1,2,3,4,5-pentamethylcyclopenta-1,3-diene;titanium
CID 5148204
cobalt;bis(1,2,3,4,5-pentamethylcyclopenta-1,3-diene);1,2,3,4,5-pentamethylcyclopentane
CID 11987162
CID 11325153
CID 11325153
dichloromolybdenum;bis(1,2,3,4,5-pentamethylcyclopenta-1,3-diene)
CID 155669320

Frequently Asked Questions

What is the IUPAC name of nickel;1,2,3,4,5-pentamethylcyclopenta-1,3-diene?
The IUPAC name of nickel;1,2,3,4,5-pentamethylcyclopenta-1,3-diene (CID 141169485) is nickel;1,2,3,4,5-pentamethylcyclopenta-1,3-diene.
What is the SMILES notation for nickel;1,2,3,4,5-pentamethylcyclopenta-1,3-diene?
The canonical SMILES for nickel;1,2,3,4,5-pentamethylcyclopenta-1,3-diene is Cc1c(C)c(C)[c-](C)c1C.[Ni].
What is the InChIKey of nickel;1,2,3,4,5-pentamethylcyclopenta-1,3-diene?
The InChIKey is KXSBKTVSDZWKJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15.Ni/c1-6-7(2)9(4)10(5)8(6)3;/h1-5H3;/q-1;.
What are the key properties of nickel;1,2,3,4,5-pentamethylcyclopenta-1,3-diene?
nickel;1,2,3,4,5-pentamethylcyclopenta-1,3-diene has a molecular weight of 193.92 g/mol, XLogP of 2.95, 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 is sourced from PubChem (CID 141169485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).