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

C9H21ClO3Ti — CID 3084342

IUPACtris(propan-2-olate);titanium(4+);chloride
SMILESCC(C)[O-].CC(C)[O-].CC(C)[O-].[Cl-].[Ti+4]
InChIInChI=1S/3C3H7O.ClH.Ti/c3*1-3(2)4;;/h3*3H,1-2H3;1H;/q3*-1;;+4/p-1
InChIKeyIFMWVBVPVXRZHE-UHFFFAOYSA-M
MW260.58 g/mol
LogP-3.73
Rot. Bonds

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

tris(propan-2-olate);titanium(4+);chloride (PubChem CID 3084342) has the molecular formula C9H21ClO3Ti and a molecular weight of 260.58 g/mol. Its IUPAC name is tris(propan-2-olate);titanium(4+);chloride.

Molecular Properties

Compound Nametris(propan-2-olate);titanium(4+);chloride
PubChem CID3084342
Molecular FormulaC9H21ClO3Ti
Molecular Weight260.58 g/mol
Exact Mass260.07
IUPAC Nametris(propan-2-olate);titanium(4+);chloride
SMILESCC(C)[O-].CC(C)[O-].CC(C)[O-].[Cl-].[Ti+4]
InChIInChI=1S/3C3H7O.ClH.Ti/c3*1-3(2)4;;/h3*3H,1-2H3;1H;/q3*-1;;+4/p-1
InChIKeyIFMWVBVPVXRZHE-UHFFFAOYSA-M
XLogP-3.73
TPSA69.18 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.58
LogP ≤ 5-3.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of tris(propan-2-olate);titanium(4+);chloride?
The IUPAC name of tris(propan-2-olate);titanium(4+);chloride (CID 3084342) is tris(propan-2-olate);titanium(4+);chloride.
What is the SMILES notation for tris(propan-2-olate);titanium(4+);chloride?
The canonical SMILES for tris(propan-2-olate);titanium(4+);chloride is CC(C)[O-].CC(C)[O-].CC(C)[O-].[Cl-].[Ti+4].
What is the InChIKey of tris(propan-2-olate);titanium(4+);chloride?
The InChIKey is IFMWVBVPVXRZHE-UHFFFAOYSA-M. The full InChI is InChI=1S/3C3H7O.ClH.Ti/c3*1-3(2)4;;/h3*3H,1-2H3;1H;/q3*-1;;+4/p-1.
What are the key properties of tris(propan-2-olate);titanium(4+);chloride?
tris(propan-2-olate);titanium(4+);chloride has a molecular weight of 260.58 g/mol, XLogP of -3.73, 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+);chloride is sourced from PubChem (CID 3084342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).