2,5-dimethylcyclopenta-1,3-diene;titanium(3+);dichloride

C7H9Cl2Ti — CID 159160331

IUPAC2,5-dimethylcyclopenta-1,3-diene;titanium(3+);dichloride
SMILESCc1cc[c-](C)c1.[Cl-].[Cl-].[Ti+3]
InChIInChI=1S/C7H9.2ClH.Ti/c1-6-3-4-7(2)5-6;;;/h3-5H,1-2H3;2*1H;/q-1;;;+3/p-2
InChIKeyNHCJKLSTAOUNPU-UHFFFAOYSA-L
MW211.92 g/mol
LogP-3.97
Rot. Bonds

About 2,5-dimethylcyclopenta-1,3-diene;titanium(3+);dichloride

2,5-dimethylcyclopenta-1,3-diene;titanium(3+);dichloride (PubChem CID 159160331) has the molecular formula C7H9Cl2Ti and a molecular weight of 211.92 g/mol. Its IUPAC name is 2,5-dimethylcyclopenta-1,3-diene;titanium(3+);dichloride.

Molecular Properties

Compound Name2,5-dimethylcyclopenta-1,3-diene;titanium(3+);dichloride
PubChem CID159160331
Molecular FormulaC7H9Cl2Ti
Molecular Weight211.92 g/mol
Exact Mass210.96
IUPAC Name2,5-dimethylcyclopenta-1,3-diene;titanium(3+);dichloride
SMILESCc1cc[c-](C)c1.[Cl-].[Cl-].[Ti+3]
InChIInChI=1S/C7H9.2ClH.Ti/c1-6-3-4-7(2)5-6;;;/h3-5H,1-2H3;2*1H;/q-1;;;+3/p-2
InChIKeyNHCJKLSTAOUNPU-UHFFFAOYSA-L
XLogP-3.97
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.92
LogP ≤ 5-3.97
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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Related Compounds

2,5-dimethylcyclopenta-1,3-diene;trichlorozirconium
CID 154072838
benzylidenezirconium(2+);2,5-dimethylcyclopenta-1,3-diene;9H-fluoren-9-ide
CID 173158166
(3-methylcyclopenta-1,4-dien-1-yl)benzene
CID 123646897
5-ethyl-2-methylcyclopenta-1,3-diene;zirconium
CID 154080845
bis(5-butyl-2-methylcyclopenta-1,3-diene);zirconium(4+);dichloride
CID 52987681
bis(1,2,5-trimethylcyclopenta-1,3-diene);vanadium(4+);dichloride
CID 88619957
2-cyclopentyl-5-methylcyclopenta-1,3-diene;dichlorozirconium(2+);1,2,3,4,5-pentamethylcyclopenta-1,3-diene
CID 141245726
(3-methylcyclopenta-2,4-dien-1-yl)-tris(3-propan-2-ylphenyl)silane;titanium(4+);trichloride
CID 159589336
bis(dimethylazanide);bis(2,5-dimethylpyrrol-5-ide);hafnium(4+)
CID 89396210
platinum;1,4-xylene
CID 173034643
cobalt;bis(1,4-xylene)
CID 67859603
methane;pentakis(1,4-xylene)
CID 160760083

Frequently Asked Questions

What is the IUPAC name of 2,5-dimethylcyclopenta-1,3-diene;titanium(3+);dichloride?
The IUPAC name of 2,5-dimethylcyclopenta-1,3-diene;titanium(3+);dichloride (CID 159160331) is 2,5-dimethylcyclopenta-1,3-diene;titanium(3+);dichloride.
What is the SMILES notation for 2,5-dimethylcyclopenta-1,3-diene;titanium(3+);dichloride?
The canonical SMILES for 2,5-dimethylcyclopenta-1,3-diene;titanium(3+);dichloride is Cc1cc[c-](C)c1.[Cl-].[Cl-].[Ti+3].
What is the InChIKey of 2,5-dimethylcyclopenta-1,3-diene;titanium(3+);dichloride?
The InChIKey is NHCJKLSTAOUNPU-UHFFFAOYSA-L. The full InChI is InChI=1S/C7H9.2ClH.Ti/c1-6-3-4-7(2)5-6;;;/h3-5H,1-2H3;2*1H;/q-1;;;+3/p-2.
What are the key properties of 2,5-dimethylcyclopenta-1,3-diene;titanium(3+);dichloride?
2,5-dimethylcyclopenta-1,3-diene;titanium(3+);dichloride has a molecular weight of 211.92 g/mol, XLogP of -3.97, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dimethylcyclopenta-1,3-diene;titanium(3+);dichloride is sourced from PubChem (CID 159160331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).