tris(propan-1-olate);titanium(3+)

C9H21O3Ti — CID 57375981

IUPACtris(propan-1-olate);titanium(3+)
SMILESCCC[O-].CCC[O-].CCC[O-].[Ti+3]
InChIInChI=1S/3C3H7O.Ti/c3*1-2-3-4;/h3*2-3H2,1H3;/q3*-1;+3
InChIKeyBDDFDYYYZGKVEP-UHFFFAOYSA-N
MW225.13 g/mol
LogP-0.73
Rot. Bonds3

About tris(propan-1-olate);titanium(3+)

tris(propan-1-olate);titanium(3+) (PubChem CID 57375981) has the molecular formula C9H21O3Ti and a molecular weight of 225.13 g/mol. Its IUPAC name is tris(propan-1-olate);titanium(3+).

Molecular Properties

Compound Nametris(propan-1-olate);titanium(3+)
PubChem CID57375981
Molecular FormulaC9H21O3Ti
Molecular Weight225.13 g/mol
Exact Mass225.10
IUPAC Nametris(propan-1-olate);titanium(3+)
SMILESCCC[O-].CCC[O-].CCC[O-].[Ti+3]
InChIInChI=1S/3C3H7O.Ti/c3*1-2-3-4;/h3*2-3H2,1H3;/q3*-1;+3
InChIKeyBDDFDYYYZGKVEP-UHFFFAOYSA-N
XLogP-0.73
TPSA69.18 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.13
LogP ≤ 5-0.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of tris(propan-1-olate);titanium(3+)?
The IUPAC name of tris(propan-1-olate);titanium(3+) (CID 57375981) is tris(propan-1-olate);titanium(3+).
What is the SMILES notation for tris(propan-1-olate);titanium(3+)?
The canonical SMILES for tris(propan-1-olate);titanium(3+) is CCC[O-].CCC[O-].CCC[O-].[Ti+3].
What is the InChIKey of tris(propan-1-olate);titanium(3+)?
The InChIKey is BDDFDYYYZGKVEP-UHFFFAOYSA-N. The full InChI is InChI=1S/3C3H7O.Ti/c3*1-2-3-4;/h3*2-3H2,1H3;/q3*-1;+3.
What are the key properties of tris(propan-1-olate);titanium(3+)?
tris(propan-1-olate);titanium(3+) has a molecular weight of 225.13 g/mol, XLogP of -0.73, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tris(propan-1-olate);titanium(3+) is sourced from PubChem (CID 57375981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).