cyclopenta-1,3-diene;4,5,6,7-tetrahydro-1H-inden-1-ide;titanium(4+);dichloride

C14H16Cl2Ti — CID 3061462

IUPACcyclopenta-1,3-diene;4,5,6,7-tetrahydro-1H-inden-1-ide;titanium(4+);dichloride
SMILES[Cl-].[Cl-].[Ti+4].c1cc2c([cH-]1)CCCC2.c1cc[cH-]c1
InChIInChI=1S/C9H11.C5H5.2ClH.Ti/c1-2-5-9-7-3-6-8(9)4-1;1-2-4-5-3-1;;;/h3,6-7H,1-2,4-5H2;1-5H;2*1H;/q2*-1;;;+4/p-2
InChIKeyZNSOUVMSKNQRLL-UHFFFAOYSA-L
MW303.05 g/mol
LogP-2.30
Rot. Bonds

About cyclopenta-1,3-diene;4,5,6,7-tetrahydro-1H-inden-1-ide;titanium(4+);dichloride

cyclopenta-1,3-diene;4,5,6,7-tetrahydro-1H-inden-1-ide;titanium(4+);dichloride (PubChem CID 3061462) has the molecular formula C14H16Cl2Ti and a molecular weight of 303.05 g/mol. Its IUPAC name is cyclopenta-1,3-diene;4,5,6,7-tetrahydro-1H-inden-1-ide;titanium(4+);dichloride.

Molecular Properties

Compound Namecyclopenta-1,3-diene;4,5,6,7-tetrahydro-1H-inden-1-ide;titanium(4+);dichloride
PubChem CID3061462
Molecular FormulaC14H16Cl2Ti
Molecular Weight303.05 g/mol
Exact Mass302.01
IUPAC Namecyclopenta-1,3-diene;4,5,6,7-tetrahydro-1H-inden-1-ide;titanium(4+);dichloride
SMILES[Cl-].[Cl-].[Ti+4].c1cc2c([cH-]1)CCCC2.c1cc[cH-]c1
InChIInChI=1S/C9H11.C5H5.2ClH.Ti/c1-2-5-9-7-3-6-8(9)4-1;1-2-4-5-3-1;;;/h3,6-7H,1-2,4-5H2;1-5H;2*1H;/q2*-1;;;+4/p-2
InChIKeyZNSOUVMSKNQRLL-UHFFFAOYSA-L
XLogP-2.30
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.05
LogP ≤ 5-2.30
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;4,5,6,7-tetrahydro-1H-inden-1-ide;titanium(4+);dichloride?
The IUPAC name of cyclopenta-1,3-diene;4,5,6,7-tetrahydro-1H-inden-1-ide;titanium(4+);dichloride (CID 3061462) is cyclopenta-1,3-diene;4,5,6,7-tetrahydro-1H-inden-1-ide;titanium(4+);dichloride.
What is the SMILES notation for cyclopenta-1,3-diene;4,5,6,7-tetrahydro-1H-inden-1-ide;titanium(4+);dichloride?
The canonical SMILES for cyclopenta-1,3-diene;4,5,6,7-tetrahydro-1H-inden-1-ide;titanium(4+);dichloride is [Cl-].[Cl-].[Ti+4].c1cc2c([cH-]1)CCCC2.c1cc[cH-]c1.
What is the InChIKey of cyclopenta-1,3-diene;4,5,6,7-tetrahydro-1H-inden-1-ide;titanium(4+);dichloride?
The InChIKey is ZNSOUVMSKNQRLL-UHFFFAOYSA-L. The full InChI is InChI=1S/C9H11.C5H5.2ClH.Ti/c1-2-5-9-7-3-6-8(9)4-1;1-2-4-5-3-1;;;/h3,6-7H,1-2,4-5H2;1-5H;2*1H;/q2*-1;;;+4/p-2.
What are the key properties of cyclopenta-1,3-diene;4,5,6,7-tetrahydro-1H-inden-1-ide;titanium(4+);dichloride?
cyclopenta-1,3-diene;4,5,6,7-tetrahydro-1H-inden-1-ide;titanium(4+);dichloride has a molecular weight of 303.05 g/mol, XLogP of -2.30, 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;4,5,6,7-tetrahydro-1H-inden-1-ide;titanium(4+);dichloride is sourced from PubChem (CID 3061462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).