bis(cyclooctatetraene);nickel

C16H16Ni — CID 15737790

IUPACbis(cyclooctatetraene);nickel
SMILESC1=C\C=C/C=C\C=C/1.C1=C\C=C/C=C\C=C/1.[Ni]
InChIInChI=1S/2C8H8.Ni/c2*1-2-4-6-8-7-5-3-1;/h2*1-8H;/b2*2-1-,3-1-,4-2-,5-3-,6-4-,7-5-,8-6-,8-7-;
InChIKeyBBWPNYFJSBTXCH-OGVMWVNQSA-N
MW267.00 g/mol
LogP4.45
Rot. Bonds

About bis(cyclooctatetraene);nickel

bis(cyclooctatetraene);nickel (PubChem CID 15737790) has the molecular formula C16H16Ni and a molecular weight of 267.00 g/mol. Its IUPAC name is bis(cyclooctatetraene);nickel.

Molecular Properties

Compound Namebis(cyclooctatetraene);nickel
PubChem CID15737790
Molecular FormulaC16H16Ni
Molecular Weight267.00 g/mol
Exact Mass266.06
IUPAC Namebis(cyclooctatetraene);nickel
SMILESC1=C\C=C/C=C\C=C/1.C1=C\C=C/C=C\C=C/1.[Ni]
InChIInChI=1S/2C8H8.Ni/c2*1-2-4-6-8-7-5-3-1;/h2*1-8H;/b2*2-1-,3-1-,4-2-,5-3-,6-4-,7-5-,8-6-,8-7-;
InChIKeyBBWPNYFJSBTXCH-OGVMWVNQSA-N
XLogP4.45
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.00
LogP ≤ 54.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

Bis(eta8-cyclooctatetraene)uranium
CID 171039599
[18]Annulene
CID 137294
Hexadeca-1,3,5,7,9,11,13,15-octaene
CID 71357788
Epirodin A
CID 101684547
Cyclohexadecaoctaene
CID 137893
(16)Annulene
CID 5463130
[22]Annulene
CID 23241431
1,3,5,7,9,11,13,15,17,19,21,23-Cyclotetracosadodecaene
CID 5378784
[16]Annulene
CID 20831750
[30]Annulene
CID 57459441
Octadeca-1,3,5,7,9,11,13,15,17-nonaene
CID 71447215
Tetracosadodecaene
CID 85781862

Frequently Asked Questions

What is the IUPAC name of bis(cyclooctatetraene);nickel?
The IUPAC name of bis(cyclooctatetraene);nickel (CID 15737790) is bis(cyclooctatetraene);nickel.
What is the SMILES notation for bis(cyclooctatetraene);nickel?
The canonical SMILES for bis(cyclooctatetraene);nickel is C1=C\C=C/C=C\C=C/1.C1=C\C=C/C=C\C=C/1.[Ni].
What is the InChIKey of bis(cyclooctatetraene);nickel?
The InChIKey is BBWPNYFJSBTXCH-OGVMWVNQSA-N. The full InChI is InChI=1S/2C8H8.Ni/c2*1-2-4-6-8-7-5-3-1;/h2*1-8H;/b2*2-1-,3-1-,4-2-,5-3-,6-4-,7-5-,8-6-,8-7-;.
What are the key properties of bis(cyclooctatetraene);nickel?
bis(cyclooctatetraene);nickel has a molecular weight of 267.00 g/mol, XLogP of 4.45, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for bis(cyclooctatetraene);nickel is sourced from PubChem (CID 15737790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).