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

C12H16O2Zr — CID 173371153

IUPACformaldehyde;tricyclo[5.2.1.02,6]deca-3,8-diene;zirconium
SMILESC1=CC2C3C=CC(C3)C2C1.C=O.C=O.[Zr]
InChIInChI=1S/C10H12.2CH2O.Zr/c1-2-9-7-4-5-8(6-7)10(9)3-1;2*1-2;/h1-2,4-5,7-10H,3,6H2;2*1H2;
InChIKeyAHZBUXAMWZIKKA-UHFFFAOYSA-N
MW283.48 g/mol
LogP2.01
Rot. Bonds

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

formaldehyde;tricyclo[5.2.1.02,6]deca-3,8-diene;zirconium (PubChem CID 173371153) has the molecular formula C12H16O2Zr and a molecular weight of 283.48 g/mol. Its IUPAC name is formaldehyde;tricyclo[5.2.1.02,6]deca-3,8-diene;zirconium.

Molecular Properties

Compound Nameformaldehyde;tricyclo[5.2.1.02,6]deca-3,8-diene;zirconium
PubChem CID173371153
Molecular FormulaC12H16O2Zr
Molecular Weight283.48 g/mol
Exact Mass282.02
IUPAC Nameformaldehyde;tricyclo[5.2.1.02,6]deca-3,8-diene;zirconium
SMILESC1=CC2C3C=CC(C3)C2C1.C=O.C=O.[Zr]
InChIInChI=1S/C10H12.2CH2O.Zr/c1-2-9-7-4-5-8(6-7)10(9)3-1;2*1-2;/h1-2,4-5,7-10H,3,6H2;2*1H2;
InChIKeyAHZBUXAMWZIKKA-UHFFFAOYSA-N
XLogP2.01
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.48
LogP ≤ 52.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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 formaldehyde;tricyclo[5.2.1.02,6]deca-3,8-diene;zirconium?
The IUPAC name of formaldehyde;tricyclo[5.2.1.02,6]deca-3,8-diene;zirconium (CID 173371153) is formaldehyde;tricyclo[5.2.1.02,6]deca-3,8-diene;zirconium.
What is the SMILES notation for formaldehyde;tricyclo[5.2.1.02,6]deca-3,8-diene;zirconium?
The canonical SMILES for formaldehyde;tricyclo[5.2.1.02,6]deca-3,8-diene;zirconium is C1=CC2C3C=CC(C3)C2C1.C=O.C=O.[Zr].
What is the InChIKey of formaldehyde;tricyclo[5.2.1.02,6]deca-3,8-diene;zirconium?
The InChIKey is AHZBUXAMWZIKKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12.2CH2O.Zr/c1-2-9-7-4-5-8(6-7)10(9)3-1;2*1-2;/h1-2,4-5,7-10H,3,6H2;2*1H2;.
What are the key properties of formaldehyde;tricyclo[5.2.1.02,6]deca-3,8-diene;zirconium?
formaldehyde;tricyclo[5.2.1.02,6]deca-3,8-diene;zirconium has a molecular weight of 283.48 g/mol, XLogP of 2.01, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for formaldehyde;tricyclo[5.2.1.02,6]deca-3,8-diene;zirconium is sourced from PubChem (CID 173371153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).