bis(bicyclo[2.2.1]hepta-1,3-diene);nickel

C14H16Ni — CID 159665742

IUPACbis(bicyclo[2.2.1]hepta-1,3-diene);nickel
SMILESC1=C2CCC(=C1)C2.C1=C2CCC(=C1)C2.[Ni]
InChIInChI=1S/2C7H8.Ni/c2*1-2-7-4-3-6(1)5-7;/h2*1-2H,3-5H2;
InChIKeyMTJKWBDSHIJKMK-UHFFFAOYSA-N
MW242.97 g/mol
LogP4.07
Rot. Bonds

About bis(bicyclo[2.2.1]hepta-1,3-diene);nickel

bis(bicyclo[2.2.1]hepta-1,3-diene);nickel (PubChem CID 159665742) has the molecular formula C14H16Ni and a molecular weight of 242.97 g/mol. Its IUPAC name is bis(bicyclo[2.2.1]hepta-1,3-diene);nickel.

Molecular Properties

Compound Namebis(bicyclo[2.2.1]hepta-1,3-diene);nickel
PubChem CID159665742
Molecular FormulaC14H16Ni
Molecular Weight242.97 g/mol
Exact Mass242.06
IUPAC Namebis(bicyclo[2.2.1]hepta-1,3-diene);nickel
SMILESC1=C2CCC(=C1)C2.C1=C2CCC(=C1)C2.[Ni]
InChIInChI=1S/2C7H8.Ni/c2*1-2-7-4-3-6(1)5-7;/h2*1-2H,3-5H2;
InChIKeyMTJKWBDSHIJKMK-UHFFFAOYSA-N
XLogP4.07
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.97
LogP ≤ 54.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of bis(bicyclo[2.2.1]hepta-1,3-diene);nickel?
The IUPAC name of bis(bicyclo[2.2.1]hepta-1,3-diene);nickel (CID 159665742) is bis(bicyclo[2.2.1]hepta-1,3-diene);nickel.
What is the SMILES notation for bis(bicyclo[2.2.1]hepta-1,3-diene);nickel?
The canonical SMILES for bis(bicyclo[2.2.1]hepta-1,3-diene);nickel is C1=C2CCC(=C1)C2.C1=C2CCC(=C1)C2.[Ni].
What is the InChIKey of bis(bicyclo[2.2.1]hepta-1,3-diene);nickel?
The InChIKey is MTJKWBDSHIJKMK-UHFFFAOYSA-N. The full InChI is InChI=1S/2C7H8.Ni/c2*1-2-7-4-3-6(1)5-7;/h2*1-2H,3-5H2;.
What are the key properties of bis(bicyclo[2.2.1]hepta-1,3-diene);nickel?
bis(bicyclo[2.2.1]hepta-1,3-diene);nickel has a molecular weight of 242.97 g/mol, XLogP of 4.07, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for bis(bicyclo[2.2.1]hepta-1,3-diene);nickel is sourced from PubChem (CID 159665742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).