Titanium (IV) 2-ethylhexanoate

CAT: 0024-sc-301909Size: 100 gDry Ice: NoHazardous: No

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CAT#:0024-sc-301909Size:100 g

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CAS Number

3645-34-9

Chemical Information

Hexanoic acid, 2-ethyl-, titanium(4+) salt (4:1)

CAS Number	3645-34-9
PubChem CID	6451578
IUPAC Name	tetrakis(2-ethylhexanoate);titanium(4+)
Molecular Formula	C32H60O8Ti
Molecular Weight	620.7
Topological Polar Surface Area	161
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	8
Rotatable Bond Count	16
Heavy Atom Count	41
Formal Charge	0
Complexity	93

SMILES

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

InChI

InChI=1S/4C8H16O2.Ti/c4*1-3-5-6-7(4-2)8(9)10;/h4*7H,3-6H2,1-2H3,(H,9,10);/q;;;;+4/p-4

InChIKey

GDKAXSGMPFSRJY-UHFFFAOYSA-J

Chemical Structure

2D Structure

CAS: 3645-34-9

CID: 6451578

Formula: C32H60O8Ti

MW: 620.7

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	620.7
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	8
Rotatable Bond Count	16
Exact Mass	620.3767595
Monoisotopic Mass	620.3767595
Topological Polar Surface Area	161 Å²
Heavy Atom Count	41
Formal Charge	0
Complexity	93.9
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	4
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	5
Compound Is Canonicalized	Yes

Catalog	Name
sc-272791	Zirconium (IV) 2-ethylhexanoate
sc-251254	Titanium (IV) 2-ethylhexyloxide
sc-251257	Titanium (IV) ethoxide
sc-255664A	Titanium (IV) oxide
sc-251260	Titanium (IV) propoxide
sc-251259	Titanium (IV) oxysulfate
sc-253702A	Titanium (IV) butoxide
sc-253702	Titanium (IV) butoxide
sc-253704	Titanium (IV) isopropoxide
sc-237120A	Titanium (IV) bromide

Catalog	Name
IN3698	Titanium (IV) 2-ethylhexyloxide
GX0530-10g	Titanium (IV) chloride-2-tetrahydrofuran
IN13182	Bis[tris (2,4-pentanedionato) titanium (IV) ] Hexachlorotitanate (IV)
PC0735	Di (cyclopenta-2,4-dien-1-yl) (difluoro) titanium (IV)
IN13209-01	Tetrakis (2,4-pentanedionato) titanium (IV) (ca. 63% in Isopropyl Alcohol)
IN13210-01	Bis (2,4-pentanedionato) bis (2-propanolato) titanium (IV) (75% in Isopropyl Alcohol)
IN5938	Titanium (IV) bis (isopropoxide) bis (2,2,6,6-tetramethylheptane-3,5-dionate)
GK5886-2kg	Titanium (IV) isopropoxide
abx186048	Titanium(IV) chloride
IN12307	Titanium (IV) oxyacetylacetonate