tricyclo[5.2.1.02,6]deca-3,8-diene;zirconium

C10H12Zr — CID 173155873

IUPACtricyclo[5.2.1.02,6]deca-3,8-diene;zirconium
SMILESC1=CC2C3C=CC(C3)C2C1.[Zr]
InChIInChI=1S/C10H12.Zr/c1-2-9-7-4-5-8(6-7)10(9)3-1;/h1-2,4-5,7-10H,3,6H2;
InChIKeyYOWMMAZZRYYLNY-UHFFFAOYSA-N
MW223.43 g/mol
LogP2.38
Rot. Bonds

About tricyclo[5.2.1.02,6]deca-3,8-diene;zirconium

tricyclo[5.2.1.02,6]deca-3,8-diene;zirconium (PubChem CID 173155873) has the molecular formula C10H12Zr and a molecular weight of 223.43 g/mol. Its IUPAC name is tricyclo[5.2.1.02,6]deca-3,8-diene;zirconium.

Molecular Properties

Compound Nametricyclo[5.2.1.02,6]deca-3,8-diene;zirconium
PubChem CID173155873
Molecular FormulaC10H12Zr
Molecular Weight223.43 g/mol
Exact Mass222.00
IUPAC Nametricyclo[5.2.1.02,6]deca-3,8-diene;zirconium
SMILESC1=CC2C3C=CC(C3)C2C1.[Zr]
InChIInChI=1S/C10H12.Zr/c1-2-9-7-4-5-8(6-7)10(9)3-1;/h1-2,4-5,7-10H,3,6H2;
InChIKeyYOWMMAZZRYYLNY-UHFFFAOYSA-N
XLogP2.38
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.43
LogP ≤ 52.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of tricyclo[5.2.1.02,6]deca-3,8-diene;zirconium?
The IUPAC name of tricyclo[5.2.1.02,6]deca-3,8-diene;zirconium (CID 173155873) is tricyclo[5.2.1.02,6]deca-3,8-diene;zirconium.
What is the SMILES notation for tricyclo[5.2.1.02,6]deca-3,8-diene;zirconium?
The canonical SMILES for tricyclo[5.2.1.02,6]deca-3,8-diene;zirconium is C1=CC2C3C=CC(C3)C2C1.[Zr].
What is the InChIKey of tricyclo[5.2.1.02,6]deca-3,8-diene;zirconium?
The InChIKey is YOWMMAZZRYYLNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12.Zr/c1-2-9-7-4-5-8(6-7)10(9)3-1;/h1-2,4-5,7-10H,3,6H2;.
What are the key properties of tricyclo[5.2.1.02,6]deca-3,8-diene;zirconium?
tricyclo[5.2.1.02,6]deca-3,8-diene;zirconium has a molecular weight of 223.43 g/mol, XLogP of 2.38, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for tricyclo[5.2.1.02,6]deca-3,8-diene;zirconium is sourced from PubChem (CID 173155873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).