cyclopenta-1,3-diene;1,7-dimethyl-1,2-dihydroinden-2-ide;propane;zirconium(2+);dichloride

C19H23Cl2Zr-3 — CID 172798604

IUPACcyclopenta-1,3-diene;1,7-dimethyl-1,2-dihydroinden-2-ide;propane;zirconium(2+);dichloride
SMILESCc1cccc2c1C(C)[C-]=C2.[CH2-]CC.[Cl-].[Cl-].[Zr+2].c1cc[cH-]c1
InChIInChI=1S/C11H11.C5H5.C3H7.2ClH.Zr/c1-8-4-3-5-10-7-6-9(2)11(8)10;1-2-4-5-3-1;1-3-2;;;/h3-5,7,9H,1-2H3;1-5H;1,3H2,2H3;2*1H;/q3*-1;;;+2/p-2
InChIKeyNCLPNBXFBGUWQQ-UHFFFAOYSA-L
MW413.52 g/mol
LogP-0.43
Rot. Bonds

About cyclopenta-1,3-diene;1,7-dimethyl-1,2-dihydroinden-2-ide;propane;zirconium(2+);dichloride

cyclopenta-1,3-diene;1,7-dimethyl-1,2-dihydroinden-2-ide;propane;zirconium(2+);dichloride (PubChem CID 172798604) has the molecular formula C19H23Cl2Zr-3 and a molecular weight of 413.52 g/mol. Its IUPAC name is cyclopenta-1,3-diene;1,7-dimethyl-1,2-dihydroinden-2-ide;propane;zirconium(2+);dichloride.

Molecular Properties

Compound Namecyclopenta-1,3-diene;1,7-dimethyl-1,2-dihydroinden-2-ide;propane;zirconium(2+);dichloride
PubChem CID172798604
Molecular FormulaC19H23Cl2Zr-3
Molecular Weight413.52 g/mol
Exact Mass411.02
IUPAC Namecyclopenta-1,3-diene;1,7-dimethyl-1,2-dihydroinden-2-ide;propane;zirconium(2+);dichloride
SMILESCc1cccc2c1C(C)[C-]=C2.[CH2-]CC.[Cl-].[Cl-].[Zr+2].c1cc[cH-]c1
InChIInChI=1S/C11H11.C5H5.C3H7.2ClH.Zr/c1-8-4-3-5-10-7-6-9(2)11(8)10;1-2-4-5-3-1;1-3-2;;;/h3-5,7,9H,1-2H3;1-5H;1,3H2,2H3;2*1H;/q3*-1;;;+2/p-2
InChIKeyNCLPNBXFBGUWQQ-UHFFFAOYSA-L
XLogP-0.43
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.52
LogP ≤ 5-0.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze cyclopenta-1,3-diene;1,7-dimethyl-1,2-dihydroinden-2-ide;propane;zirconium(2+);dichloride 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 cyclopenta-1,3-diene;1,7-dimethyl-1,2-dihydroinden-2-ide;propane;zirconium(2+);dichloride?
The IUPAC name of cyclopenta-1,3-diene;1,7-dimethyl-1,2-dihydroinden-2-ide;propane;zirconium(2+);dichloride (CID 172798604) is cyclopenta-1,3-diene;1,7-dimethyl-1,2-dihydroinden-2-ide;propane;zirconium(2+);dichloride.
What is the SMILES notation for cyclopenta-1,3-diene;1,7-dimethyl-1,2-dihydroinden-2-ide;propane;zirconium(2+);dichloride?
The canonical SMILES for cyclopenta-1,3-diene;1,7-dimethyl-1,2-dihydroinden-2-ide;propane;zirconium(2+);dichloride is Cc1cccc2c1C(C)[C-]=C2.[CH2-]CC.[Cl-].[Cl-].[Zr+2].c1cc[cH-]c1.
What is the InChIKey of cyclopenta-1,3-diene;1,7-dimethyl-1,2-dihydroinden-2-ide;propane;zirconium(2+);dichloride?
The InChIKey is NCLPNBXFBGUWQQ-UHFFFAOYSA-L. The full InChI is InChI=1S/C11H11.C5H5.C3H7.2ClH.Zr/c1-8-4-3-5-10-7-6-9(2)11(8)10;1-2-4-5-3-1;1-3-2;;;/h3-5,7,9H,1-2H3;1-5H;1,3H2,2H3;2*1H;/q3*-1;;;+2/p-2.
What are the key properties of cyclopenta-1,3-diene;1,7-dimethyl-1,2-dihydroinden-2-ide;propane;zirconium(2+);dichloride?
cyclopenta-1,3-diene;1,7-dimethyl-1,2-dihydroinden-2-ide;propane;zirconium(2+);dichloride has a molecular weight of 413.52 g/mol, XLogP of -0.43, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopenta-1,3-diene;1,7-dimethyl-1,2-dihydroinden-2-ide;propane;zirconium(2+);dichloride is sourced from PubChem (CID 172798604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).