bromotitanium(1+);cyclohexane

C6H11BrTi — CID 88802833

IUPACbromotitanium(1+);cyclohexane
SMILES[CH-]1CCCCC1.[Ti+]Br
InChIInChI=1S/C6H11.BrH.Ti/c1-2-4-6-5-3-1;;/h1H,2-6H2;1H;/q-1;;+2/p-1
InChIKeyFXCPSKHVPCXCGG-UHFFFAOYSA-M
MW210.92 g/mol
LogP3.00
Rot. Bonds

About bromotitanium(1+);cyclohexane

bromotitanium(1+);cyclohexane (PubChem CID 88802833) has the molecular formula C6H11BrTi and a molecular weight of 210.92 g/mol. Its IUPAC name is bromotitanium(1+);cyclohexane.

Molecular Properties

Compound Namebromotitanium(1+);cyclohexane
PubChem CID88802833
Molecular FormulaC6H11BrTi
Molecular Weight210.92 g/mol
Exact Mass209.95
IUPAC Namebromotitanium(1+);cyclohexane
SMILES[CH-]1CCCCC1.[Ti+]Br
InChIInChI=1S/C6H11.BrH.Ti/c1-2-4-6-5-3-1;;/h1H,2-6H2;1H;/q-1;;+2/p-1
InChIKeyFXCPSKHVPCXCGG-UHFFFAOYSA-M
XLogP3.00
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.92
LogP ≤ 53.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze bromotitanium(1+);cyclohexane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of bromotitanium(1+);cyclohexane?
The IUPAC name of bromotitanium(1+);cyclohexane (CID 88802833) is bromotitanium(1+);cyclohexane.
What is the SMILES notation for bromotitanium(1+);cyclohexane?
The canonical SMILES for bromotitanium(1+);cyclohexane is [CH-]1CCCCC1.[Ti+]Br.
What is the InChIKey of bromotitanium(1+);cyclohexane?
The InChIKey is FXCPSKHVPCXCGG-UHFFFAOYSA-M. The full InChI is InChI=1S/C6H11.BrH.Ti/c1-2-4-6-5-3-1;;/h1H,2-6H2;1H;/q-1;;+2/p-1.
What are the key properties of bromotitanium(1+);cyclohexane?
bromotitanium(1+);cyclohexane has a molecular weight of 210.92 g/mol, XLogP of 3.00, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for bromotitanium(1+);cyclohexane is sourced from PubChem (CID 88802833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).