cyclopenta-1,3-diene;dichlorotitanium;1H-inden-1-ide

C14H12Cl2Ti-2 — CID 15302998

IUPACcyclopenta-1,3-diene;dichlorotitanium;1H-inden-1-ide
SMILESCl[Ti]Cl.c1cc[cH-]c1.c1ccc2[cH-]ccc2c1
InChIInChI=1S/C9H7.C5H5.2ClH.Ti/c1-2-5-9-7-3-6-8(9)4-1;1-2-4-5-3-1;;;/h1-7H;1-5H;2*1H;/q2*-1;;;+2/p-2
InChIKeyNDRONAGSPUXZIY-UHFFFAOYSA-L
MW299.02 g/mol
LogP5.34
Rot. Bonds

About cyclopenta-1,3-diene;dichlorotitanium;1H-inden-1-ide

cyclopenta-1,3-diene;dichlorotitanium;1H-inden-1-ide (PubChem CID 15302998) has the molecular formula C14H12Cl2Ti-2 and a molecular weight of 299.02 g/mol. Its IUPAC name is cyclopenta-1,3-diene;dichlorotitanium;1H-inden-1-ide.

Molecular Properties

Compound Namecyclopenta-1,3-diene;dichlorotitanium;1H-inden-1-ide
PubChem CID15302998
Molecular FormulaC14H12Cl2Ti-2
Molecular Weight299.02 g/mol
Exact Mass297.98
IUPAC Namecyclopenta-1,3-diene;dichlorotitanium;1H-inden-1-ide
SMILESCl[Ti]Cl.c1cc[cH-]c1.c1ccc2[cH-]ccc2c1
InChIInChI=1S/C9H7.C5H5.2ClH.Ti/c1-2-5-9-7-3-6-8(9)4-1;1-2-4-5-3-1;;;/h1-7H;1-5H;2*1H;/q2*-1;;;+2/p-2
InChIKeyNDRONAGSPUXZIY-UHFFFAOYSA-L
XLogP5.34
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500299.02
LogP ≤ 55.34
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;dichlorotitanium;1H-inden-1-ide?
The IUPAC name of cyclopenta-1,3-diene;dichlorotitanium;1H-inden-1-ide (CID 15302998) is cyclopenta-1,3-diene;dichlorotitanium;1H-inden-1-ide.
What is the SMILES notation for cyclopenta-1,3-diene;dichlorotitanium;1H-inden-1-ide?
The canonical SMILES for cyclopenta-1,3-diene;dichlorotitanium;1H-inden-1-ide is Cl[Ti]Cl.c1cc[cH-]c1.c1ccc2[cH-]ccc2c1.
What is the InChIKey of cyclopenta-1,3-diene;dichlorotitanium;1H-inden-1-ide?
The InChIKey is NDRONAGSPUXZIY-UHFFFAOYSA-L. The full InChI is InChI=1S/C9H7.C5H5.2ClH.Ti/c1-2-5-9-7-3-6-8(9)4-1;1-2-4-5-3-1;;;/h1-7H;1-5H;2*1H;/q2*-1;;;+2/p-2.
What are the key properties of cyclopenta-1,3-diene;dichlorotitanium;1H-inden-1-ide?
cyclopenta-1,3-diene;dichlorotitanium;1H-inden-1-ide has a molecular weight of 299.02 g/mol, XLogP of 5.34, 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;dichlorotitanium;1H-inden-1-ide is sourced from PubChem (CID 15302998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).