dichlorozirconium;1H-inden-1-ide;propane;2-propan-2-ylcyclopenta-1,3-diene

C20H25Cl2Zr-3 — CID 154419685

IUPACdichlorozirconium;1H-inden-1-ide;propane;2-propan-2-ylcyclopenta-1,3-diene
SMILESCC(C)c1cc[cH-]c1.C[CH-]C.Cl[Zr]Cl.c1ccc2[cH-]ccc2c1
InChIInChI=1S/C9H7.C8H11.C3H7.2ClH.Zr/c1-2-5-9-7-3-6-8(9)4-1;1-7(2)8-5-3-4-6-8;1-3-2;;;/h1-7H;3-7H,1-2H3;3H,1-2H3;2*1H;/q3*-1;;;+2/p-2
InChIKeyKOSQSQRNYOUXOF-UHFFFAOYSA-L
MW427.55 g/mol
LogP7.69
Rot. Bonds1

About dichlorozirconium;1H-inden-1-ide;propane;2-propan-2-ylcyclopenta-1,3-diene

dichlorozirconium;1H-inden-1-ide;propane;2-propan-2-ylcyclopenta-1,3-diene (PubChem CID 154419685) has the molecular formula C20H25Cl2Zr-3 and a molecular weight of 427.55 g/mol. Its IUPAC name is dichlorozirconium;1H-inden-1-ide;propane;2-propan-2-ylcyclopenta-1,3-diene.

Molecular Properties

Compound Namedichlorozirconium;1H-inden-1-ide;propane;2-propan-2-ylcyclopenta-1,3-diene
PubChem CID154419685
Molecular FormulaC20H25Cl2Zr-3
Molecular Weight427.55 g/mol
Exact Mass425.04
IUPAC Namedichlorozirconium;1H-inden-1-ide;propane;2-propan-2-ylcyclopenta-1,3-diene
SMILESCC(C)c1cc[cH-]c1.C[CH-]C.Cl[Zr]Cl.c1ccc2[cH-]ccc2c1
InChIInChI=1S/C9H7.C8H11.C3H7.2ClH.Zr/c1-2-5-9-7-3-6-8(9)4-1;1-7(2)8-5-3-4-6-8;1-3-2;;;/h1-7H;3-7H,1-2H3;3H,1-2H3;2*1H;/q3*-1;;;+2/p-2
InChIKeyKOSQSQRNYOUXOF-UHFFFAOYSA-L
XLogP7.69
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500427.55
LogP ≤ 57.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze dichlorozirconium;1H-inden-1-ide;propane;2-propan-2-ylcyclopenta-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

Related Compounds

1H-inden-1-ide;2-propan-2-ylcyclopenta-1,3-diene;propan-2-ylidenezirconium(2+)
CID 151787229
cyclopenta-1,3-diene;dichlorozirconium(2+);1H-inden-1-ide
CID 15397844
magnesium;1H-inden-1-ide;bromide
CID 12823996
CID 173337846
CID 173337846
cyclopenta-1,3-diene;1H-inden-1-ide;titanium(2+)
CID 154419987
cyclopenta-1,3-diene;1H-inden-1-ide;zirconium(4+)
CID 175934824
9H-fluoren-9-ide;1H-inden-1-ide;propane;zirconium(3+)
CID 173317485
CID 173008523
CID 173008523
chloromethane;ethane;bis(1H-inden-1-ide);zirconium(4+)
CID 172681800
carbanide;cyclopenta-1,3-diene;1H-inden-1-ide;iron
CID 176655072
CID 173046303
CID 173046303
carbanide;cyclopenta-1,3-diene;hafnium(4+);1H-inden-1-ide
CID 148548337

Frequently Asked Questions

What is the IUPAC name of dichlorozirconium;1H-inden-1-ide;propane;2-propan-2-ylcyclopenta-1,3-diene?
The IUPAC name of dichlorozirconium;1H-inden-1-ide;propane;2-propan-2-ylcyclopenta-1,3-diene (CID 154419685) is dichlorozirconium;1H-inden-1-ide;propane;2-propan-2-ylcyclopenta-1,3-diene.
What is the SMILES notation for dichlorozirconium;1H-inden-1-ide;propane;2-propan-2-ylcyclopenta-1,3-diene?
The canonical SMILES for dichlorozirconium;1H-inden-1-ide;propane;2-propan-2-ylcyclopenta-1,3-diene is CC(C)c1cc[cH-]c1.C[CH-]C.Cl[Zr]Cl.c1ccc2[cH-]ccc2c1.
What is the InChIKey of dichlorozirconium;1H-inden-1-ide;propane;2-propan-2-ylcyclopenta-1,3-diene?
The InChIKey is KOSQSQRNYOUXOF-UHFFFAOYSA-L. The full InChI is InChI=1S/C9H7.C8H11.C3H7.2ClH.Zr/c1-2-5-9-7-3-6-8(9)4-1;1-7(2)8-5-3-4-6-8;1-3-2;;;/h1-7H;3-7H,1-2H3;3H,1-2H3;2*1H;/q3*-1;;;+2/p-2.
What are the key properties of dichlorozirconium;1H-inden-1-ide;propane;2-propan-2-ylcyclopenta-1,3-diene?
dichlorozirconium;1H-inden-1-ide;propane;2-propan-2-ylcyclopenta-1,3-diene has a molecular weight of 427.55 g/mol, XLogP of 7.69, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for dichlorozirconium;1H-inden-1-ide;propane;2-propan-2-ylcyclopenta-1,3-diene is sourced from PubChem (CID 154419685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).