1,2,5-trimethylcyclopenta-1,3-diene;zirconium

C8H12Zr — CID 174480219

IUPAC1,2,5-trimethylcyclopenta-1,3-diene;zirconium
SMILESCC1=C(C)C(C)C=C1.[Zr]
InChIInChI=1S/C8H12.Zr/c1-6-4-5-7(2)8(6)3;/h4-6H,1-3H3;
InChIKeySTFPQCKRTQBYHG-UHFFFAOYSA-N
MW199.41 g/mol
LogP2.53
Rot. Bonds

About 1,2,5-trimethylcyclopenta-1,3-diene;zirconium

1,2,5-trimethylcyclopenta-1,3-diene;zirconium (PubChem CID 174480219) has the molecular formula C8H12Zr and a molecular weight of 199.41 g/mol. Its IUPAC name is 1,2,5-trimethylcyclopenta-1,3-diene;zirconium.

Molecular Properties

Compound Name1,2,5-trimethylcyclopenta-1,3-diene;zirconium
PubChem CID174480219
Molecular FormulaC8H12Zr
Molecular Weight199.41 g/mol
Exact Mass198.00
IUPAC Name1,2,5-trimethylcyclopenta-1,3-diene;zirconium
SMILESCC1=C(C)C(C)C=C1.[Zr]
InChIInChI=1S/C8H12.Zr/c1-6-4-5-7(2)8(6)3;/h4-6H,1-3H3;
InChIKeySTFPQCKRTQBYHG-UHFFFAOYSA-N
XLogP2.53
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.41
LogP ≤ 52.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze 1,2,5-trimethylcyclopenta-1,3-diene;zirconium with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1,2,5-trimethylcyclopenta-1,3-diene;zirconium?
The IUPAC name of 1,2,5-trimethylcyclopenta-1,3-diene;zirconium (CID 174480219) is 1,2,5-trimethylcyclopenta-1,3-diene;zirconium.
What is the SMILES notation for 1,2,5-trimethylcyclopenta-1,3-diene;zirconium?
The canonical SMILES for 1,2,5-trimethylcyclopenta-1,3-diene;zirconium is CC1=C(C)C(C)C=C1.[Zr].
What is the InChIKey of 1,2,5-trimethylcyclopenta-1,3-diene;zirconium?
The InChIKey is STFPQCKRTQBYHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12.Zr/c1-6-4-5-7(2)8(6)3;/h4-6H,1-3H3;.
What are the key properties of 1,2,5-trimethylcyclopenta-1,3-diene;zirconium?
1,2,5-trimethylcyclopenta-1,3-diene;zirconium has a molecular weight of 199.41 g/mol, XLogP of 2.53, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,5-trimethylcyclopenta-1,3-diene;zirconium is sourced from PubChem (CID 174480219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).