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

C3H7I3OTi — CID 174248492

IUPACpropan-2-olate;titanium(4+);triiodide
SMILESCC(C)[O-].[I-].[I-].[I-].[Ti+4]
InChIInChI=1S/C3H7O.3HI.Ti/c1-3(2)4;;;;/h3H,1-2H3;3*1H;/q-1;;;;+4/p-3
InChIKeyMJAANYBZHGEMLW-UHFFFAOYSA-K
MW487.67 g/mol
LogP-9.24
Rot. Bonds

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

propan-2-olate;titanium(4+);triiodide (PubChem CID 174248492) has the molecular formula C3H7I3OTi and a molecular weight of 487.67 g/mol. Its IUPAC name is propan-2-olate;titanium(4+);triiodide.

Molecular Properties

Compound Namepropan-2-olate;titanium(4+);triiodide
PubChem CID174248492
Molecular FormulaC3H7I3OTi
Molecular Weight487.67 g/mol
Exact Mass487.71
IUPAC Namepropan-2-olate;titanium(4+);triiodide
SMILESCC(C)[O-].[I-].[I-].[I-].[Ti+4]
InChIInChI=1S/C3H7O.3HI.Ti/c1-3(2)4;;;;/h3H,1-2H3;3*1H;/q-1;;;;+4/p-3
InChIKeyMJAANYBZHGEMLW-UHFFFAOYSA-K
XLogP-9.24
TPSA23.06 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500487.67
LogP ≤ 5-9.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

sodium;pentakis(propan-2-olate);titanium(4+)
CID 15772239
barium(2+);bis(hafnium(4+));nonakis(propan-2-olate);iodide
CID 139143845
erbium(3+);tris(propan-2-olate)
CID 2734042
pentakis(propan-2-olate);tungsten
CID 173344200
bis(propan-2-olate);samarium
CID 162338231
hafnium(4+);bis(propan-2-olate)
CID 22242333
hafnium;bis(propan-2-olate)
CID 157404523
manganese(3+);tris(propan-2-olate)
CID 91971223
molybdenum;hexakis(propan-2-olate)
CID 138991740
oxygen(2-);tridecakis(propan-2-olate);pentakis(yttrium(3+))
CID 131845266
pentakis(europium(3+));oxygen(2-);tridecakis(propan-2-olate)
CID 139133025
potassium;sodium;bis(propan-2-olate)
CID 141167841

Frequently Asked Questions

What is the IUPAC name of propan-2-olate;titanium(4+);triiodide?
The IUPAC name of propan-2-olate;titanium(4+);triiodide (CID 174248492) is propan-2-olate;titanium(4+);triiodide.
What is the SMILES notation for propan-2-olate;titanium(4+);triiodide?
The canonical SMILES for propan-2-olate;titanium(4+);triiodide is CC(C)[O-].[I-].[I-].[I-].[Ti+4].
What is the InChIKey of propan-2-olate;titanium(4+);triiodide?
The InChIKey is MJAANYBZHGEMLW-UHFFFAOYSA-K. The full InChI is InChI=1S/C3H7O.3HI.Ti/c1-3(2)4;;;;/h3H,1-2H3;3*1H;/q-1;;;;+4/p-3.
What are the key properties of propan-2-olate;titanium(4+);triiodide?
propan-2-olate;titanium(4+);triiodide has a molecular weight of 487.67 g/mol, XLogP of -9.24, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-olate;titanium(4+);triiodide is sourced from PubChem (CID 174248492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).