mu-Methylene-mu-chlorobis(eta5-2,4-cyclopentadien-1-yl)(dimethylaluminum)titanium

C13H19AlClTi — CID 91617563

IUPAC—
SMILESC[Al]C.[CH3-].[Cl-].[Ti+4].c1cc[cH-]c1.c1cc[cH-]c1
InChIInChI=1S/2C5H5.3CH3.Al.ClH.Ti/c2*1-2-4-5-3-1;;;;;;/h2*1-5H;3*1H3;;1H;/q2*-1;;;-1;;;+4/p-1
InChIKeyJJNHBFYGCSOONU-UHFFFAOYSA-M
MW285.60 g/mol
LogP1.05
Rot. Bonds

About mu-Methylene-mu-chlorobis(eta5-2,4-cyclopentadien-1-yl)(dimethylaluminum)titanium

mu-Methylene-mu-chlorobis(eta5-2,4-cyclopentadien-1-yl)(dimethylaluminum)titanium (PubChem CID 91617563) has the molecular formula C13H19AlClTi and a molecular weight of 285.60 g/mol.

Molecular Properties

Compound Namemu-Methylene-mu-chlorobis(eta5-2,4-cyclopentadien-1-yl)(dimethylaluminum)titanium
PubChem CID91617563
Molecular FormulaC13H19AlClTi
Molecular Weight285.60 g/mol
Exact Mass285.05
IUPAC Name—
SMILESC[Al]C.[CH3-].[Cl-].[Ti+4].c1cc[cH-]c1.c1cc[cH-]c1
InChIInChI=1S/2C5H5.3CH3.Al.ClH.Ti/c2*1-2-4-5-3-1;;;;;;/h2*1-5H;3*1H3;;1H;/q2*-1;;;-1;;;+4/p-1
InChIKeyJJNHBFYGCSOONU-UHFFFAOYSA-M
XLogP1.05
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.60
LogP ≤ 51.05
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 mu-Methylene-mu-chlorobis(eta5-2,4-cyclopentadien-1-yl)(dimethylaluminum)titanium?
The IUPAC name of mu-Methylene-mu-chlorobis(eta5-2,4-cyclopentadien-1-yl)(dimethylaluminum)titanium (CID 91617563) is not available.
What is the SMILES notation for mu-Methylene-mu-chlorobis(eta5-2,4-cyclopentadien-1-yl)(dimethylaluminum)titanium?
The canonical SMILES for mu-Methylene-mu-chlorobis(eta5-2,4-cyclopentadien-1-yl)(dimethylaluminum)titanium is C[Al]C.[CH3-].[Cl-].[Ti+4].c1cc[cH-]c1.c1cc[cH-]c1.
What is the InChIKey of mu-Methylene-mu-chlorobis(eta5-2,4-cyclopentadien-1-yl)(dimethylaluminum)titanium?
The InChIKey is JJNHBFYGCSOONU-UHFFFAOYSA-M. The full InChI is InChI=1S/2C5H5.3CH3.Al.ClH.Ti/c2*1-2-4-5-3-1;;;;;;/h2*1-5H;3*1H3;;1H;/q2*-1;;;-1;;;+4/p-1.
What are the key properties of mu-Methylene-mu-chlorobis(eta5-2,4-cyclopentadien-1-yl)(dimethylaluminum)titanium?
mu-Methylene-mu-chlorobis(eta5-2,4-cyclopentadien-1-yl)(dimethylaluminum)titanium has a molecular weight of 285.60 g/mol, XLogP of 1.05, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for mu-Methylene-mu-chlorobis(eta5-2,4-cyclopentadien-1-yl)(dimethylaluminum)titanium is sourced from PubChem (CID 91617563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).