chempirical

tert-Butyl titanate

C4H10OTiCAS 3087-39-6121.99 g/mol

Open in Covalent MOL file
OHTi
Alcohol

Properties

Molecular formula
C4H10OTi
Molar mass
121.99 g/mol
Exact mass
122.0211 Da
Boiling point
59–60 °C (at 0.3 Torr)
logP
0.77Crippen estimate
Polar surface area
20.2 Ų
H-bond donors / acceptors
1 / 1
Rotatable bonds
0

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless. Search the SDS library

Identifiers

CAS number
3087-39-6
SMILES
CC(C)(C)O.[Ti]
InChIKey
LQYXNJNEDCJEGG-UHFFFAOYSA-N
InChI
InChI=1S/C4H10O.Ti/c1-4(2,3)5;/h5H,1-3H3;

Weigh it out

Type any one amount. The others follow from the molar mass.

Names and synonyms

23 names · show all
  • 2-Propanol, 2-methyl-, titanium(4+) salt (4:1)
  • tert-Butyl alcohol, titanium(4+) salt
  • 2-Propanol, 2-methyl-, titanium(4+) salt
  • tert-Butyl titanate(IV)
  • tert-Butyl titanate(IV) ((C4H9O)4Ti)
  • Tetra-tert-butyl titanate
  • Tetra-tert-butoxytitanium
  • Titanium tetrakis(tert-butoxide)
  • Titanium tert-butylate
  • tert-Butyl orthotitanate
  • Titanium tetra-tert-butoxide
  • Titanium(4+) tert-butoxide
  • Titanium tert-butoxide
  • Titanium(IV) tert-butoxide
  • Tetrakis(tert-butanolato)titanium
  • Titanium tetrakis(t-butoxide)
  • Titanium tetrakis(tert-butanolate)
  • t-Butanol titanium(4+) salt
  • Tetrakis(tert-butoxy)titanium
  • Titanium tetrakis(2-methyl-2-propoxide)
  • tert-Butoxytitanium (IV)
  • Tetratertbutyl orthotitanate
  • Orgatix TA 80

Work with tert-Butyl titanate

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Similar compounds

tert-Butyl alcohol75-65-075 % similar Zirconium(IV) t-butoxide2081-12-160 % similar Pinacol76-09-531 % similar Titanium tetramethoxide992-92-731 % similar 2,3,4-Trimethyl-3-pentanol3054-92-030 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Same formula

Titanium butoxide5593-70-4

Elsewhere

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