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

C6H14O2Ti — CID 12048820

IUPACbis(propan-2-olate);titanium(2+)
SMILESCC(C)[O-].CC(C)[O-].[Ti+2]
InChIInChI=1S/2C3H7O.Ti/c2*1-3(2)4;/h2*3H,1-2H3;/q2*-1;+2
InChIKeyJTQPTNQXCUMDRK-UHFFFAOYSA-N
MW166.04 g/mol
LogP-0.49
Rot. Bonds

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

bis(propan-2-olate);titanium(2+) (PubChem CID 12048820) has the molecular formula C6H14O2Ti and a molecular weight of 166.04 g/mol. Its IUPAC name is bis(propan-2-olate);titanium(2+).

Molecular Properties

Compound Namebis(propan-2-olate);titanium(2+)
PubChem CID12048820
Molecular FormulaC6H14O2Ti
Molecular Weight166.04 g/mol
Exact Mass166.05
IUPAC Namebis(propan-2-olate);titanium(2+)
SMILESCC(C)[O-].CC(C)[O-].[Ti+2]
InChIInChI=1S/2C3H7O.Ti/c2*1-3(2)4;/h2*3H,1-2H3;/q2*-1;+2
InChIKeyJTQPTNQXCUMDRK-UHFFFAOYSA-N
XLogP-0.49
TPSA46.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.04
LogP ≤ 5-0.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze bis(propan-2-olate);titanium(2+) 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-olate);titanium(2+)?
The IUPAC name of bis(propan-2-olate);titanium(2+) (CID 12048820) is bis(propan-2-olate);titanium(2+).
What is the SMILES notation for bis(propan-2-olate);titanium(2+)?
The canonical SMILES for bis(propan-2-olate);titanium(2+) is CC(C)[O-].CC(C)[O-].[Ti+2].
What is the InChIKey of bis(propan-2-olate);titanium(2+)?
The InChIKey is JTQPTNQXCUMDRK-UHFFFAOYSA-N. The full InChI is InChI=1S/2C3H7O.Ti/c2*1-3(2)4;/h2*3H,1-2H3;/q2*-1;+2.
What are the key properties of bis(propan-2-olate);titanium(2+)?
bis(propan-2-olate);titanium(2+) has a molecular weight of 166.04 g/mol, XLogP of -0.49, 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(2+) is sourced from PubChem (CID 12048820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).