2-methylpropane;titanium(4+);trichloride

C4H9Cl3Ti — CID 162088142

IUPAC2-methylpropane;titanium(4+);trichloride
SMILESC[C-](C)C.[Cl-].[Cl-].[Cl-].[Ti+4]
InChIInChI=1S/C4H9.3ClH.Ti/c1-4(2)3;;;;/h1-3H3;3*1H;/q-1;;;;+4/p-3
InChIKeyUTJBVRHITGRCAO-UHFFFAOYSA-K
MW211.34 g/mol
LogP-7.37
Rot. Bonds

About 2-methylpropane;titanium(4+);trichloride

2-methylpropane;titanium(4+);trichloride (PubChem CID 162088142) has the molecular formula C4H9Cl3Ti and a molecular weight of 211.34 g/mol. Its IUPAC name is 2-methylpropane;titanium(4+);trichloride.

Molecular Properties

Compound Name2-methylpropane;titanium(4+);trichloride
PubChem CID162088142
Molecular FormulaC4H9Cl3Ti
Molecular Weight211.34 g/mol
Exact Mass209.92
IUPAC Name2-methylpropane;titanium(4+);trichloride
SMILESC[C-](C)C.[Cl-].[Cl-].[Cl-].[Ti+4]
InChIInChI=1S/C4H9.3ClH.Ti/c1-4(2)3;;;;/h1-3H3;3*1H;/q-1;;;;+4/p-3
InChIKeyUTJBVRHITGRCAO-UHFFFAOYSA-K
XLogP-7.37
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.34
LogP ≤ 5-7.37
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 2-methylpropane;titanium(4+);trichloride?
The IUPAC name of 2-methylpropane;titanium(4+);trichloride (CID 162088142) is 2-methylpropane;titanium(4+);trichloride.
What is the SMILES notation for 2-methylpropane;titanium(4+);trichloride?
The canonical SMILES for 2-methylpropane;titanium(4+);trichloride is C[C-](C)C.[Cl-].[Cl-].[Cl-].[Ti+4].
What is the InChIKey of 2-methylpropane;titanium(4+);trichloride?
The InChIKey is UTJBVRHITGRCAO-UHFFFAOYSA-K. The full InChI is InChI=1S/C4H9.3ClH.Ti/c1-4(2)3;;;;/h1-3H3;3*1H;/q-1;;;;+4/p-3.
What are the key properties of 2-methylpropane;titanium(4+);trichloride?
2-methylpropane;titanium(4+);trichloride has a molecular weight of 211.34 g/mol, XLogP of -7.37, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylpropane;titanium(4+);trichloride is sourced from PubChem (CID 162088142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).