tris(propan-2-olate);tetrachlorotitanium

C9H21Cl4O3Ti-3 — CID 131734328

IUPACtris(propan-2-olate);tetrachlorotitanium
SMILESCC(C)[O-].CC(C)[O-].CC(C)[O-].Cl[Ti](Cl)(Cl)Cl
InChIInChI=1S/3C3H7O.4ClH.Ti/c3*1-3(2)4;;;;;/h3*3H,1-2H3;4*1H;/q3*-1;;;;;+4/p-4
InChIKeyIDICPOXRUWTPFG-UHFFFAOYSA-J
MW366.94 g/mol
LogP2.02
Rot. Bonds

About tris(propan-2-olate);tetrachlorotitanium

tris(propan-2-olate);tetrachlorotitanium (PubChem CID 131734328) has the molecular formula C9H21Cl4O3Ti-3 and a molecular weight of 366.94 g/mol. Its IUPAC name is tris(propan-2-olate);tetrachlorotitanium.

Molecular Properties

Compound Nametris(propan-2-olate);tetrachlorotitanium
PubChem CID131734328
Molecular FormulaC9H21Cl4O3Ti-3
Molecular Weight366.94 g/mol
Exact Mass364.97
IUPAC Nametris(propan-2-olate);tetrachlorotitanium
SMILESCC(C)[O-].CC(C)[O-].CC(C)[O-].Cl[Ti](Cl)(Cl)Cl
InChIInChI=1S/3C3H7O.4ClH.Ti/c3*1-3(2)4;;;;;/h3*3H,1-2H3;4*1H;/q3*-1;;;;;+4/p-4
InChIKeyIDICPOXRUWTPFG-UHFFFAOYSA-J
XLogP2.02
TPSA69.18 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.94
LogP ≤ 52.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

Chlorotitanium triisopropoxide
CID 3084342
(T-4)-Dichlorobis(2-propanolato)titanium
CID 10130919
Titanium(3+) propan-2-olate
CID 9815954
Chlorotitaniumtriisopropoxide
CID 11673339
Methyltitanium(IV) triisopropoxide
CID 11984310
Carbanide;bis(propan-2-olate);titanium(4+)
CID 12481664
Butane;tris(propan-2-olate);titanium(4+)
CID 12654635
Ethane;tris(propan-2-olate);titanium(4+)
CID 13435922
Ethane;bis(propan-2-olate);titanium(4+)
CID 14048565
Tris(propan-2-olate);titanium(4+)
CID 19093099
Bis(neodymium(3+));tris(propan-2-olate);trichloride
CID 19866090
Molybdenum;tris(propan-2-olate);trichloride
CID 22112169

Frequently Asked Questions

What is the IUPAC name of tris(propan-2-olate);tetrachlorotitanium?
The IUPAC name of tris(propan-2-olate);tetrachlorotitanium (CID 131734328) is tris(propan-2-olate);tetrachlorotitanium.
What is the SMILES notation for tris(propan-2-olate);tetrachlorotitanium?
The canonical SMILES for tris(propan-2-olate);tetrachlorotitanium is CC(C)[O-].CC(C)[O-].CC(C)[O-].Cl[Ti](Cl)(Cl)Cl.
What is the InChIKey of tris(propan-2-olate);tetrachlorotitanium?
The InChIKey is IDICPOXRUWTPFG-UHFFFAOYSA-J. The full InChI is InChI=1S/3C3H7O.4ClH.Ti/c3*1-3(2)4;;;;;/h3*3H,1-2H3;4*1H;/q3*-1;;;;;+4/p-4.
What are the key properties of tris(propan-2-olate);tetrachlorotitanium?
tris(propan-2-olate);tetrachlorotitanium has a molecular weight of 366.94 g/mol, XLogP of 2.02, 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);tetrachlorotitanium is sourced from PubChem (CID 131734328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).