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Molecule

Bis(2,4-Pentanedionato-Κo2,Κo4)Bis(2-Propanolato)Titanium

CAS: 17927-72-9 · C16H28O6Ti

2D Structure

3D Structure

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Basic Information

CAS Registry Number
17927-72-9
Molecular Formula
C16H28O6Ti
Molecular Mass
364.26 g/mol

Identifiers

CAS Registry Number

17927-72-9

SMILES

CC(=O)[CH-]C(C)=O.CC(=O)[CH-]C(C)=O.CC(C)[O-].CC(C)[O-].[Ti+4]

InChI Key

DOOBMVWXHWRGEB-UHFFFAOYSA-N

InChI

InChI=1S/2C5H7O2.2C3H7O.Ti/c2*1-4(6)3-5(2)7;2*1-3(2)4;/h2*3H,1-2H3;2*3H,1-2H3;/q4*-1;+4

Names and Synonyms

  • Bis(2,4-Pentanedionato-Κo2,Κo4)Bis(2-Propanolato)Titanium Synonym
  • Titanium, bis(2,4-pentanedionato-κO2,κO4)bis(2-propanolato)- Synonym
  • Titanium, diisopropoxybis(2,4-pentanedionato)- Synonym
  • Titanium, bis(2,4-pentanedionato-O,O′)bis(2-propanolato)- Synonym
  • Titanium, bis(2,4-pentanedionato-κO,κO′)bis(2-propanolato)- Synonym
  • 2-Propanol, titanium complex Synonym
  • Bis(2,4-pentanedionato-κO2,κO4)bis(2-propanolato)titanium Synonym
  • Bis(acetylacetonato)diisopropoxytitanium Synonym
  • Titanium bis(acetoacetonate)diisopropylate Synonym
  • Diisopropoxybis(acetylacetonato)titanium Synonym
  • Diisopropoxytitanium bis(acetylacetonate) Synonym
  • Titanium diisopropoxide bis(acetylacetonate) Synonym
  • Titanium diisopropylate diacetylacetonate Synonym
  • Diisopropoxybis(2,4-pentanedionato)titanium(IV) Synonym
  • Titabond 50 Synonym
  • Tyzor AA Synonym
  • Orgatix TC 100 Synonym
  • TAA (titanate) Synonym
  • Titanium diisopropoxy bis(acetylacetonate) Synonym
  • TAA Synonym
  • T 50 Synonym
  • Bis(acetylacetonato)diisopropanolatotitanium Synonym
  • Titacoat T 50 Synonym
  • Bis(acetylacetonato)bis(isopropanolato)titanium Synonym
  • TC 100 Synonym
  • AKT 855 Synonym
  • Di(isopropoxo)bis(pentane-2,4-dionato)titanium Synonym
  • Tyzor GBA Synonym
  • T 80 Synonym
  • T 80 (titanate) Synonym
  • Tyzor AA 75 Synonym
  • Vertec KE 2 Synonym
  • Bis(acetylacetonate)-titanium-di-isopropylate Synonym
  • Bis(isopropoxy)titanium bis(acetylacetonate) Synonym
  • Titanium bis(2,4-pentanedionate) diisopropoxide Synonym
  • Titanium bis(isopropoxy) bis(acetoacetonate) Synonym
  • Vertec TAA Synonym
  • Titanium diisopropoxide bis(2,4-pentanedionate) Synonym
  • AA 75 Synonym
  • KH 802 Synonym
  • Tytan TAA Synonym
  • (Diisopropoxy)bis(acetylacetonate)titanium (IV) Synonym
  • A 75 Synonym
  • Diisopropoxytitanium diacetylacetonate Synonym
  • TC 120 Synonym
  • Orgatix TC 120 Synonym
  • Lida LD 801 Synonym
  • LD 801 Synonym

All Properties

Comprehensive physical and chemical properties

Property Value Source
Molecular Mass 364.26 g/mol CAS Common Chemistry
364.2610000000001 g/mol RDKit
364.261 g/mol RDKit
370.309 g/mol chempirical lib
Canonical SMILES O1=C([CH-]C(=O[Ti+4]12(O=C([CH-]C(=O2)C)C)([O-]C(C)C)[O-]C(C)C)C)C CAS Common Chemistry
InChI InChI=1S/2C5H7O2.2C3H7O.Ti/c2*1-4(6)3-5(2)7;2*1-3(2)4;/h2*3H,1-2H3;2*3H,1-2H3;/q4*-1;+4 CAS Common Chemistry
InChI Key InChIKey=DOOBMVWXHWRGEB-UHFFFAOYSA-N CAS Common Chemistry
Name Bis(2,4-pentanedionato-κO2,κO4)bis(2-propanolato)titanium CAS Common Chemistry
Heavy Atom Count 23 RDKit
Hydrogen Bond Acceptors 6 RDKit
Hydrogen Bond Donors 0 RDKit
Rotatable Bonds 4 RDKit
Aromatic Ring Count 0 RDKit
Topological Polar Surface Area 114.4 Ų RDKit
LogP 0.24508000000000174 RDKit
0.2451 RDKit
Molar Refractivity 81.59600000000006 cm³/mol RDKit
Ring Count 0 RDKit
Formal Charge 0 RDKit
Fraction Csp3 0.625 RDKit
Exact Mass 364.13653491599996 g/mol RDKit

Spectral Data

NMR, IR, and Mass spectral data

Predicting NMR spectra...
10 ppm 9 8 7 6 5 4 3 2 1 0 ppm
Shift (ppm) Multiplicity Integration Assignment

Note: These NMR spectra are predicted computationally and may differ from experimental data. Predictions are based on chemical environment analysis.

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MW = 364.26 g/mol. Edit any field — others recompute live.

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