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

C8H11Cl2Zr- — CID 154423024

IUPACdichlorozirconium;1,2,5-trimethylcyclopenta-1,3-diene
SMILESCc1cc[c-](C)c1C.Cl[Zr]Cl
InChIInChI=1S/C8H11.2ClH.Zr/c1-6-4-5-7(2)8(6)3;;;/h4-5H,1-3H3;2*1H;/q-1;;;+2/p-2
InChIKeyNIPZPKUQHJUBIF-UHFFFAOYSA-L
MW269.31 g/mol
LogP3.71
Rot. Bonds

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

dichlorozirconium;1,2,5-trimethylcyclopenta-1,3-diene (PubChem CID 154423024) has the molecular formula C8H11Cl2Zr- and a molecular weight of 269.31 g/mol. Its IUPAC name is dichlorozirconium;1,2,5-trimethylcyclopenta-1,3-diene.

Molecular Properties

Compound Namedichlorozirconium;1,2,5-trimethylcyclopenta-1,3-diene
PubChem CID154423024
Molecular FormulaC8H11Cl2Zr-
Molecular Weight269.31 g/mol
Exact Mass266.93
IUPAC Namedichlorozirconium;1,2,5-trimethylcyclopenta-1,3-diene
SMILESCc1cc[c-](C)c1C.Cl[Zr]Cl
InChIInChI=1S/C8H11.2ClH.Zr/c1-6-4-5-7(2)8(6)3;;;/h4-5H,1-3H3;2*1H;/q-1;;;+2/p-2
InChIKeyNIPZPKUQHJUBIF-UHFFFAOYSA-L
XLogP3.71
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.31
LogP ≤ 53.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze dichlorozirconium;1,2,5-trimethylcyclopenta-1,3-diene 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 dichlorozirconium;1,2,5-trimethylcyclopenta-1,3-diene?
The IUPAC name of dichlorozirconium;1,2,5-trimethylcyclopenta-1,3-diene (CID 154423024) is dichlorozirconium;1,2,5-trimethylcyclopenta-1,3-diene.
What is the SMILES notation for dichlorozirconium;1,2,5-trimethylcyclopenta-1,3-diene?
The canonical SMILES for dichlorozirconium;1,2,5-trimethylcyclopenta-1,3-diene is Cc1cc[c-](C)c1C.Cl[Zr]Cl.
What is the InChIKey of dichlorozirconium;1,2,5-trimethylcyclopenta-1,3-diene?
The InChIKey is NIPZPKUQHJUBIF-UHFFFAOYSA-L. The full InChI is InChI=1S/C8H11.2ClH.Zr/c1-6-4-5-7(2)8(6)3;;;/h4-5H,1-3H3;2*1H;/q-1;;;+2/p-2.
What are the key properties of dichlorozirconium;1,2,5-trimethylcyclopenta-1,3-diene?
dichlorozirconium;1,2,5-trimethylcyclopenta-1,3-diene has a molecular weight of 269.31 g/mol, XLogP of 3.71, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for dichlorozirconium;1,2,5-trimethylcyclopenta-1,3-diene is sourced from PubChem (CID 154423024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).