tris(propan-2-olate);titanium(4+)

C9H21O3Ti+ — CID 19093099

IUPACtris(propan-2-olate);titanium(4+)
SMILESCC(C)[O-].CC(C)[O-].CC(C)[O-].[Ti+4]
InChIInChI=1S/3C3H7O.Ti/c3*1-3(2)4;/h3*3H,1-2H3;/q3*-1;+4
InChIKeyMVAOBGLRADEZSQ-UHFFFAOYSA-N
MW225.13 g/mol
LogP-0.74
Rot. Bonds

About tris(propan-2-olate);titanium(4+)

tris(propan-2-olate);titanium(4+) (PubChem CID 19093099) has the molecular formula C9H21O3Ti+ and a molecular weight of 225.13 g/mol. Its IUPAC name is tris(propan-2-olate);titanium(4+).

Molecular Properties

Compound Nametris(propan-2-olate);titanium(4+)
PubChem CID19093099
Molecular FormulaC9H21O3Ti+
Molecular Weight225.13 g/mol
Exact Mass225.10
IUPAC Nametris(propan-2-olate);titanium(4+)
SMILESCC(C)[O-].CC(C)[O-].CC(C)[O-].[Ti+4]
InChIInChI=1S/3C3H7O.Ti/c3*1-3(2)4;/h3*3H,1-2H3;/q3*-1;+4
InChIKeyMVAOBGLRADEZSQ-UHFFFAOYSA-N
XLogP-0.74
TPSA69.18 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.13
LogP ≤ 5-0.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze tris(propan-2-olate);titanium(4+) with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Triisopropyl borate
CID 21531
Aluminum isopropoxide
CID 11143
Aluminum sec-butoxide
CID 61289
Titanium isopropoxide
CID 11026
Antimony(3+) tripropan-2-olate
CID 3034303
Titanium tetrapropoxide
CID 9903917
Chlorotitanium triisopropoxide
CID 3084342
2-Butanol peroxide
CID 162258
Lanthanum isopropoxide
CID 9858075
Tellurium(IV) isopropoxide
CID 15771447
Germanium(IV) isopropoxide
CID 16685043
Zirconium(4+) propan-2-olate
CID 3083750

Frequently Asked Questions

What is the IUPAC name of tris(propan-2-olate);titanium(4+)?
The IUPAC name of tris(propan-2-olate);titanium(4+) (CID 19093099) is tris(propan-2-olate);titanium(4+).
What is the SMILES notation for tris(propan-2-olate);titanium(4+)?
The canonical SMILES for tris(propan-2-olate);titanium(4+) is CC(C)[O-].CC(C)[O-].CC(C)[O-].[Ti+4].
What is the InChIKey of tris(propan-2-olate);titanium(4+)?
The InChIKey is MVAOBGLRADEZSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/3C3H7O.Ti/c3*1-3(2)4;/h3*3H,1-2H3;/q3*-1;+4.
What are the key properties of tris(propan-2-olate);titanium(4+)?
tris(propan-2-olate);titanium(4+) has a molecular weight of 225.13 g/mol, XLogP of -0.74, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tris(propan-2-olate);titanium(4+) is sourced from PubChem (CID 19093099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).