Dichlorobis(2,2,6,6-tetramethyl-3,5-heptanedionato)titanium(IV)

• CAS: 53293-32-6
• Catalog Number: ACM53293326
• Category: Micro/NanoElectronics
• Molecular Weight: 485.31
• Molecular Formula: (OCC(CH3)3CHCOC(CH3)3)2TiCl2
• Synonyms: BIS(2,2,6,6-TETRAMETHYL-3,5-HEPTANEDIONATO)TITANIUM(IV) DICHLORIDE;DICHLOROBIS(2,2,6,6-TETRAMETHYL-3,5-HEPTANEDIONATO)TITANIUM(IV);TITANIUM BIS(TETRAMETHYLHEPTANEDIONATE)DICHLORIDE;DICHLOROBIS(2,2,6,6-TETRAMETHYL-3,5-&;Dichlorobis(2,2,6,6-tetramethyl-3,5-
• IUPAC Name: dichlorotitanium;(E)-5-hydroxy-2,2,6,6-tetramethylhept-4-en-3-one
• SMILES: CC(C)(C)C(=O)\C=C(/O[Ti](Cl)(Cl)O\C(=C/C(=O)C(C)(C)C)C(C)(C)C)C(C)(C)C
• InChI: 1S/2C11H20O2.2ClH.Ti/c2*1-10(2,3)8(12)7-9(13)11(4,5)6;;;/h2*7,12H,1-6H3;2*1H;/q;;;;+4/p-4/b2*8-7-;;;,ATKXYIKEKNPVBT-KKUWAICFSA-J
• InChI Key: ATKXYIKEKNPVBT-KKUWAICFSA-J
• Boiling Point: 215ºC
• Melting Point: 123-144 °C (lit.)
• Flash Point: 215ºC
• Storage: room temp
• Assay: 0.97
• Exact Mass: 484.16300
• H-Bond Acceptor: 4
• H-Bond Donor: 2
• MDL Number: MFCD00144106
• Packaging: 5, 25 g in glass bottle
• Packing Group: III
• Quality Level: 100
• Safety Description: 22-24/25
• WGK Germany: 3

Custom Q&A

What is the molecular formula of Dichlorobis(2,2,6,6-tetramethyl-3,5-heptanedionato)titanium(iv)?

The molecular formula is C22H40Cl2O4Ti.

What are the synonyms for Dichlorobis(2,2,6,6-tetramethyl-3,5-heptanedionato)titanium(iv)?

The synonyms are 53293-32-6, Dichlorobis(2,2,6,6-tetramethyl-3,5-heptanedionato)titanium(IV), MFCD00144106, and Dichlorotitanium;(Z)-5-hydroxy-2,2,6,6-tetramethylhept-4-en-3-one Dichlorobis(2,2,6,6-tetramethyl-3,5-heptanedionato)titanium(IV), 97%.

What is the molecular weight of Dichlorobis(2,2,6,6-tetramethyl-3,5-heptanedionato)titanium(iv)?

The molecular weight is 487.3 g/mol.

What is the IUPAC name of Dichlorobis(2,2,6,6-tetramethyl-3,5-heptanedionato)titanium(iv)?

The IUPAC name is dichlorotitanium;(Z)-5-hydroxy-2,2,6,6-tetramethylhept-4-en-3-one.

What is the InChI of Dichlorobis(2,2,6,6-tetramethyl-3,5-heptanedionato)titanium(iv)?

The InChI is InChI=1S/2C11H20O2.2ClH.Ti/c2*1-10(2,3)8(12)7-9(13)11(4,5)6;;;/h2*7,12H,1-6H3;2*1H;/q;;;;+2/p-2/b2*8-7-;;;

What is the InChIKey of Dichlorobis(2,2,6,6-tetramethyl-3,5-heptanedionato)titanium(iv)?

The InChIKey is LRDNVKNHGUIQEV-KKUWAICFSA-L.

What is the canonical SMILES of Dichlorobis(2,2,6,6-tetramethyl-3,5-heptanedionato)titanium(iv)?

The canonical SMILES is CC(C)(C)C(=CC(=O)C(C)(C)C)O.CC(C)(C)C(=CC(=O)C(C)(C)C)O.Cl[Ti]Cl.

What is the hydrogen bond donor count of Dichlorobis(2,2,6,6-tetramethyl-3,5-heptanedionato)titanium(iv)?

The hydrogen bond donor count is 2.

What is the hydrogen bond acceptor count of Dichlorobis(2,2,6,6-tetramethyl-3,5-heptanedionato)titanium(iv)?

The hydrogen bond acceptor count is 4.

What is the rotatable bond count of Dichlorobis(2,2,6,6-tetramethyl-3,5-heptanedionato)titanium(iv)?

The rotatable bond count is 6.