ethanol;titanium(3+);trichloride

C4H12Cl3O2Ti — CID 159962345

IUPACethanol;titanium(3+);trichloride
SMILESCCO.CCO.[Cl-].[Cl-].[Cl-].[Ti+3]
InChIInChI=1S/2C2H6O.3ClH.Ti/c2*1-2-3;;;;/h2*3H,2H2,1H3;3*1H;/q;;;;;+3/p-3
InChIKeyDRJXYUPKWWNBGJ-UHFFFAOYSA-K
MW246.36 g/mol
LogP-8.99
Rot. Bonds

About ethanol;titanium(3+);trichloride

ethanol;titanium(3+);trichloride (PubChem CID 159962345) has the molecular formula C4H12Cl3O2Ti and a molecular weight of 246.36 g/mol. Its IUPAC name is ethanol;titanium(3+);trichloride.

Molecular Properties

Compound Nameethanol;titanium(3+);trichloride
PubChem CID159962345
Molecular FormulaC4H12Cl3O2Ti
Molecular Weight246.36 g/mol
Exact Mass244.94
IUPAC Nameethanol;titanium(3+);trichloride
SMILESCCO.CCO.[Cl-].[Cl-].[Cl-].[Ti+3]
InChIInChI=1S/2C2H6O.3ClH.Ti/c2*1-2-3;;;;/h2*3H,2H2,1H3;3*1H;/q;;;;;+3/p-3
InChIKeyDRJXYUPKWWNBGJ-UHFFFAOYSA-K
XLogP-8.99
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.36
LogP ≤ 5-8.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of ethanol;titanium(3+);trichloride?
The IUPAC name of ethanol;titanium(3+);trichloride (CID 159962345) is ethanol;titanium(3+);trichloride.
What is the SMILES notation for ethanol;titanium(3+);trichloride?
The canonical SMILES for ethanol;titanium(3+);trichloride is CCO.CCO.[Cl-].[Cl-].[Cl-].[Ti+3].
What is the InChIKey of ethanol;titanium(3+);trichloride?
The InChIKey is DRJXYUPKWWNBGJ-UHFFFAOYSA-K. The full InChI is InChI=1S/2C2H6O.3ClH.Ti/c2*1-2-3;;;;/h2*3H,2H2,1H3;3*1H;/q;;;;;+3/p-3.
What are the key properties of ethanol;titanium(3+);trichloride?
ethanol;titanium(3+);trichloride has a molecular weight of 246.36 g/mol, XLogP of -8.99, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethanol;titanium(3+);trichloride is sourced from PubChem (CID 159962345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).