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

C11H24O5Ti — CID 14367596

IUPACtris(propan-2-olate);titanium(4+);acetate
SMILESCC(=O)[O-].CC(C)[O-].CC(C)[O-].CC(C)[O-].[Ti+4]
InChIInChI=1S/3C3H7O.C2H4O2.Ti/c3*1-3(2)4;1-2(3)4;/h3*3H,1-2H3;1H3,(H,3,4);/q3*-1;;+4/p-1
InChIKeyNCOQLWYFIMCPHM-UHFFFAOYSA-M
MW284.18 g/mol
LogP-1.98
Rot. Bonds

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

tris(propan-2-olate);titanium(4+);acetate (PubChem CID 14367596) has the molecular formula C11H24O5Ti and a molecular weight of 284.18 g/mol. Its IUPAC name is tris(propan-2-olate);titanium(4+);acetate.

Molecular Properties

Compound Nametris(propan-2-olate);titanium(4+);acetate
PubChem CID14367596
Molecular FormulaC11H24O5Ti
Molecular Weight284.18 g/mol
Exact Mass284.11
IUPAC Nametris(propan-2-olate);titanium(4+);acetate
SMILESCC(=O)[O-].CC(C)[O-].CC(C)[O-].CC(C)[O-].[Ti+4]
InChIInChI=1S/3C3H7O.C2H4O2.Ti/c3*1-3(2)4;1-2(3)4;/h3*3H,1-2H3;1H3,(H,3,4);/q3*-1;;+4/p-1
InChIKeyNCOQLWYFIMCPHM-UHFFFAOYSA-M
XLogP-1.98
TPSA109.31 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.18
LogP ≤ 5-1.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of tris(propan-2-olate);titanium(4+);acetate?
The IUPAC name of tris(propan-2-olate);titanium(4+);acetate (CID 14367596) is tris(propan-2-olate);titanium(4+);acetate.
What is the SMILES notation for tris(propan-2-olate);titanium(4+);acetate?
The canonical SMILES for tris(propan-2-olate);titanium(4+);acetate is CC(=O)[O-].CC(C)[O-].CC(C)[O-].CC(C)[O-].[Ti+4].
What is the InChIKey of tris(propan-2-olate);titanium(4+);acetate?
The InChIKey is NCOQLWYFIMCPHM-UHFFFAOYSA-M. The full InChI is InChI=1S/3C3H7O.C2H4O2.Ti/c3*1-3(2)4;1-2(3)4;/h3*3H,1-2H3;1H3,(H,3,4);/q3*-1;;+4/p-1.
What are the key properties of tris(propan-2-olate);titanium(4+);acetate?
tris(propan-2-olate);titanium(4+);acetate has a molecular weight of 284.18 g/mol, XLogP of -1.98, 0 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tris(propan-2-olate);titanium(4+);acetate is sourced from PubChem (CID 14367596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).