cyclopenta-1,3-diene;dichlorozirconium(2+);2-propyl-1H-inden-1-ide

C17H18Cl2Zr — CID 154426269

IUPACcyclopenta-1,3-diene;dichlorozirconium(2+);2-propyl-1H-inden-1-ide
SMILESCCCc1cc2ccccc2[cH-]1.Cl[Zr+2]Cl.c1cc[cH-]c1
InChIInChI=1S/C12H13.C5H5.2ClH.Zr/c1-2-5-10-8-11-6-3-4-7-12(11)9-10;1-2-4-5-3-1;;;/h3-4,6-9H,2,5H2,1H3;1-5H;2*1H;/q2*-1;;;+4/p-2
InChIKeyLVFGLGBTBAIEAN-UHFFFAOYSA-L
MW384.46 g/mol
LogP6.29
Rot. Bonds2

About cyclopenta-1,3-diene;dichlorozirconium(2+);2-propyl-1H-inden-1-ide

cyclopenta-1,3-diene;dichlorozirconium(2+);2-propyl-1H-inden-1-ide (PubChem CID 154426269) has the molecular formula C17H18Cl2Zr and a molecular weight of 384.46 g/mol. Its IUPAC name is cyclopenta-1,3-diene;dichlorozirconium(2+);2-propyl-1H-inden-1-ide.

Molecular Properties

Compound Namecyclopenta-1,3-diene;dichlorozirconium(2+);2-propyl-1H-inden-1-ide
PubChem CID154426269
Molecular FormulaC17H18Cl2Zr
Molecular Weight384.46 g/mol
Exact Mass381.98
IUPAC Namecyclopenta-1,3-diene;dichlorozirconium(2+);2-propyl-1H-inden-1-ide
SMILESCCCc1cc2ccccc2[cH-]1.Cl[Zr+2]Cl.c1cc[cH-]c1
InChIInChI=1S/C12H13.C5H5.2ClH.Zr/c1-2-5-10-8-11-6-3-4-7-12(11)9-10;1-2-4-5-3-1;;;/h3-4,6-9H,2,5H2,1H3;1-5H;2*1H;/q2*-1;;;+4/p-2
InChIKeyLVFGLGBTBAIEAN-UHFFFAOYSA-L
XLogP6.29
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500384.46
LogP ≤ 56.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of cyclopenta-1,3-diene;dichlorozirconium(2+);2-propyl-1H-inden-1-ide?
The IUPAC name of cyclopenta-1,3-diene;dichlorozirconium(2+);2-propyl-1H-inden-1-ide (CID 154426269) is cyclopenta-1,3-diene;dichlorozirconium(2+);2-propyl-1H-inden-1-ide.
What is the SMILES notation for cyclopenta-1,3-diene;dichlorozirconium(2+);2-propyl-1H-inden-1-ide?
The canonical SMILES for cyclopenta-1,3-diene;dichlorozirconium(2+);2-propyl-1H-inden-1-ide is CCCc1cc2ccccc2[cH-]1.Cl[Zr+2]Cl.c1cc[cH-]c1.
What is the InChIKey of cyclopenta-1,3-diene;dichlorozirconium(2+);2-propyl-1H-inden-1-ide?
The InChIKey is LVFGLGBTBAIEAN-UHFFFAOYSA-L. The full InChI is InChI=1S/C12H13.C5H5.2ClH.Zr/c1-2-5-10-8-11-6-3-4-7-12(11)9-10;1-2-4-5-3-1;;;/h3-4,6-9H,2,5H2,1H3;1-5H;2*1H;/q2*-1;;;+4/p-2.
What are the key properties of cyclopenta-1,3-diene;dichlorozirconium(2+);2-propyl-1H-inden-1-ide?
cyclopenta-1,3-diene;dichlorozirconium(2+);2-propyl-1H-inden-1-ide has a molecular weight of 384.46 g/mol, XLogP of 6.29, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopenta-1,3-diene;dichlorozirconium(2+);2-propyl-1H-inden-1-ide is sourced from PubChem (CID 154426269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).