cyclohexa-1,3-diene;nickel(2+)

C6H8Ni+2 — CID 23341936

IUPACcyclohexa-1,3-diene;nickel(2+)
SMILESC1=CCCC=C1.[Ni+2]
InChIInChI=1S/C6H8.Ni/c1-2-4-6-5-3-1;/h1-4H,5-6H2;/q;+2
InChIKeyWLVFXUFMNKVKFQ-UHFFFAOYSA-N
MW138.82 g/mol
LogP1.89
Rot. Bonds

About cyclohexa-1,3-diene;nickel(2+)

cyclohexa-1,3-diene;nickel(2+) (PubChem CID 23341936) has the molecular formula C6H8Ni+2 and a molecular weight of 138.82 g/mol. Its IUPAC name is cyclohexa-1,3-diene;nickel(2+).

Molecular Properties

Compound Namecyclohexa-1,3-diene;nickel(2+)
PubChem CID23341936
Molecular FormulaC6H8Ni+2
Molecular Weight138.82 g/mol
Exact Mass138.00
IUPAC Namecyclohexa-1,3-diene;nickel(2+)
SMILESC1=CCCC=C1.[Ni+2]
InChIInChI=1S/C6H8.Ni/c1-2-4-6-5-3-1;/h1-4H,5-6H2;/q;+2
InChIKeyWLVFXUFMNKVKFQ-UHFFFAOYSA-N
XLogP1.89
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500138.82
LogP ≤ 51.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

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(3Z,5E,7E,9E,11Z,13E,15E,17Z)-cycloicosa-1,3,5,7,9,11,13,15,17-nonaene
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cyclohepta-1,3-diene;cyclohexa-1,3-diene
CID 143080725
carbon monoxide;cyclohexa-1,3-diene;ruthenium
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cyclotetradeca-1,3,6,9,11-pentaene
CID 91126226
(1Z,8E,10Z)-cyclotrideca-1,3,5,8,10-pentaene
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Frequently Asked Questions

What is the IUPAC name of cyclohexa-1,3-diene;nickel(2+)?
The IUPAC name of cyclohexa-1,3-diene;nickel(2+) (CID 23341936) is cyclohexa-1,3-diene;nickel(2+).
What is the SMILES notation for cyclohexa-1,3-diene;nickel(2+)?
The canonical SMILES for cyclohexa-1,3-diene;nickel(2+) is C1=CCCC=C1.[Ni+2].
What is the InChIKey of cyclohexa-1,3-diene;nickel(2+)?
The InChIKey is WLVFXUFMNKVKFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8.Ni/c1-2-4-6-5-3-1;/h1-4H,5-6H2;/q;+2.
What are the key properties of cyclohexa-1,3-diene;nickel(2+)?
cyclohexa-1,3-diene;nickel(2+) has a molecular weight of 138.82 g/mol, XLogP of 1.89, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohexa-1,3-diene;nickel(2+) is sourced from PubChem (CID 23341936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).