cyclopenta-1,4-dien-1-ylcyclohexane;titanium(3+);dichloride

C11H15Cl2Ti — CID 174424788

IUPACcyclopenta-1,4-dien-1-ylcyclohexane;titanium(3+);dichloride
SMILES[C-]1=C(C2CCCCC2)C=CC1.[Cl-].[Cl-].[Ti+3]
InChIInChI=1S/C11H15.2ClH.Ti/c1-2-6-10(7-3-1)11-8-4-5-9-11;;;/h4,8,10H,1-3,5-7H2;2*1H;/q-1;;;+3/p-2
InChIKeyGTFDJYQKTQPDLE-UHFFFAOYSA-L
MW266.01 g/mol
LogP-2.74
Rot. Bonds1

About cyclopenta-1,4-dien-1-ylcyclohexane;titanium(3+);dichloride

cyclopenta-1,4-dien-1-ylcyclohexane;titanium(3+);dichloride (PubChem CID 174424788) has the molecular formula C11H15Cl2Ti and a molecular weight of 266.01 g/mol. Its IUPAC name is cyclopenta-1,4-dien-1-ylcyclohexane;titanium(3+);dichloride.

Molecular Properties

Compound Namecyclopenta-1,4-dien-1-ylcyclohexane;titanium(3+);dichloride
PubChem CID174424788
Molecular FormulaC11H15Cl2Ti
Molecular Weight266.01 g/mol
Exact Mass265.00
IUPAC Namecyclopenta-1,4-dien-1-ylcyclohexane;titanium(3+);dichloride
SMILES[C-]1=C(C2CCCCC2)C=CC1.[Cl-].[Cl-].[Ti+3]
InChIInChI=1S/C11H15.2ClH.Ti/c1-2-6-10(7-3-1)11-8-4-5-9-11;;;/h4,8,10H,1-3,5-7H2;2*1H;/q-1;;;+3/p-2
InChIKeyGTFDJYQKTQPDLE-UHFFFAOYSA-L
XLogP-2.74
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.01
LogP ≤ 5-2.74
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-1,4-dien-1-ylcyclohexane;titanium(3+);dichloride?
The IUPAC name of cyclopenta-1,4-dien-1-ylcyclohexane;titanium(3+);dichloride (CID 174424788) is cyclopenta-1,4-dien-1-ylcyclohexane;titanium(3+);dichloride.
What is the SMILES notation for cyclopenta-1,4-dien-1-ylcyclohexane;titanium(3+);dichloride?
The canonical SMILES for cyclopenta-1,4-dien-1-ylcyclohexane;titanium(3+);dichloride is [C-]1=C(C2CCCCC2)C=CC1.[Cl-].[Cl-].[Ti+3].
What is the InChIKey of cyclopenta-1,4-dien-1-ylcyclohexane;titanium(3+);dichloride?
The InChIKey is GTFDJYQKTQPDLE-UHFFFAOYSA-L. The full InChI is InChI=1S/C11H15.2ClH.Ti/c1-2-6-10(7-3-1)11-8-4-5-9-11;;;/h4,8,10H,1-3,5-7H2;2*1H;/q-1;;;+3/p-2.
What are the key properties of cyclopenta-1,4-dien-1-ylcyclohexane;titanium(3+);dichloride?
cyclopenta-1,4-dien-1-ylcyclohexane;titanium(3+);dichloride has a molecular weight of 266.01 g/mol, XLogP of -2.74, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopenta-1,4-dien-1-ylcyclohexane;titanium(3+);dichloride is sourced from PubChem (CID 174424788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).