bis(propan-2-olate);titanium(3+);chloride

C6H14ClO2Ti — CID 158291851

IUPACbis(propan-2-olate);titanium(3+);chloride
SMILESCC(C)[O-].CC(C)[O-].[Cl-].[Ti+3]
InChIInChI=1S/2C3H7O.ClH.Ti/c2*1-3(2)4;;/h2*3H,1-2H3;1H;/q2*-1;;+3/p-1
InChIKeyGLLJDEBFOMMBQP-UHFFFAOYSA-M
MW201.50 g/mol
LogP-3.49
Rot. Bonds

About bis(propan-2-olate);titanium(3+);chloride

bis(propan-2-olate);titanium(3+);chloride (PubChem CID 158291851) has the molecular formula C6H14ClO2Ti and a molecular weight of 201.50 g/mol. Its IUPAC name is bis(propan-2-olate);titanium(3+);chloride.

Molecular Properties

Compound Namebis(propan-2-olate);titanium(3+);chloride
PubChem CID158291851
Molecular FormulaC6H14ClO2Ti
Molecular Weight201.50 g/mol
Exact Mass201.02
IUPAC Namebis(propan-2-olate);titanium(3+);chloride
SMILESCC(C)[O-].CC(C)[O-].[Cl-].[Ti+3]
InChIInChI=1S/2C3H7O.ClH.Ti/c2*1-3(2)4;;/h2*3H,1-2H3;1H;/q2*-1;;+3/p-1
InChIKeyGLLJDEBFOMMBQP-UHFFFAOYSA-M
XLogP-3.49
TPSA46.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.50
LogP ≤ 5-3.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of bis(propan-2-olate);titanium(3+);chloride?
The IUPAC name of bis(propan-2-olate);titanium(3+);chloride (CID 158291851) is bis(propan-2-olate);titanium(3+);chloride.
What is the SMILES notation for bis(propan-2-olate);titanium(3+);chloride?
The canonical SMILES for bis(propan-2-olate);titanium(3+);chloride is CC(C)[O-].CC(C)[O-].[Cl-].[Ti+3].
What is the InChIKey of bis(propan-2-olate);titanium(3+);chloride?
The InChIKey is GLLJDEBFOMMBQP-UHFFFAOYSA-M. The full InChI is InChI=1S/2C3H7O.ClH.Ti/c2*1-3(2)4;;/h2*3H,1-2H3;1H;/q2*-1;;+3/p-1.
What are the key properties of bis(propan-2-olate);titanium(3+);chloride?
bis(propan-2-olate);titanium(3+);chloride has a molecular weight of 201.50 g/mol, XLogP of -3.49, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for bis(propan-2-olate);titanium(3+);chloride is sourced from PubChem (CID 158291851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).