bis(propan-2-ol);titanium(2+);titanium(4+);dichloride

C6H16Cl2O2Ti2+4 — CID 172699127

IUPACbis(propan-2-ol);titanium(2+);titanium(4+);dichloride
SMILESCC(C)O.CC(C)O.[Cl-].[Cl-].[Ti+2].[Ti+4]
InChIInChI=1S/2C3H8O.2ClH.2Ti/c2*1-3(2)4;;;;/h2*3-4H,1-2H3;2*1H;;/q;;;;+2;+4/p-2
InChIKeyHXRDUJPEBDGJLW-UHFFFAOYSA-L
MW286.83 g/mol
LogP-5.22
Rot. Bonds

About bis(propan-2-ol);titanium(2+);titanium(4+);dichloride

bis(propan-2-ol);titanium(2+);titanium(4+);dichloride (PubChem CID 172699127) has the molecular formula C6H16Cl2O2Ti2+4 and a molecular weight of 286.83 g/mol. Its IUPAC name is bis(propan-2-ol);titanium(2+);titanium(4+);dichloride.

Molecular Properties

Compound Namebis(propan-2-ol);titanium(2+);titanium(4+);dichloride
PubChem CID172699127
Molecular FormulaC6H16Cl2O2Ti2+4
Molecular Weight286.83 g/mol
Exact Mass285.95
IUPAC Namebis(propan-2-ol);titanium(2+);titanium(4+);dichloride
SMILESCC(C)O.CC(C)O.[Cl-].[Cl-].[Ti+2].[Ti+4]
InChIInChI=1S/2C3H8O.2ClH.2Ti/c2*1-3(2)4;;;;/h2*3-4H,1-2H3;2*1H;;/q;;;;+2;+4/p-2
InChIKeyHXRDUJPEBDGJLW-UHFFFAOYSA-L
XLogP-5.22
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.83
LogP ≤ 5-5.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze bis(propan-2-ol);titanium(2+);titanium(4+);dichloride 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 bis(propan-2-ol);titanium(2+);titanium(4+);dichloride?
The IUPAC name of bis(propan-2-ol);titanium(2+);titanium(4+);dichloride (CID 172699127) is bis(propan-2-ol);titanium(2+);titanium(4+);dichloride.
What is the SMILES notation for bis(propan-2-ol);titanium(2+);titanium(4+);dichloride?
The canonical SMILES for bis(propan-2-ol);titanium(2+);titanium(4+);dichloride is CC(C)O.CC(C)O.[Cl-].[Cl-].[Ti+2].[Ti+4].
What is the InChIKey of bis(propan-2-ol);titanium(2+);titanium(4+);dichloride?
The InChIKey is HXRDUJPEBDGJLW-UHFFFAOYSA-L. The full InChI is InChI=1S/2C3H8O.2ClH.2Ti/c2*1-3(2)4;;;;/h2*3-4H,1-2H3;2*1H;;/q;;;;+2;+4/p-2.
What are the key properties of bis(propan-2-ol);titanium(2+);titanium(4+);dichloride?
bis(propan-2-ol);titanium(2+);titanium(4+);dichloride has a molecular weight of 286.83 g/mol, XLogP of -5.22, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for bis(propan-2-ol);titanium(2+);titanium(4+);dichloride is sourced from PubChem (CID 172699127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).