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Titanium (IV) 2-ethylhexyloxide

CAT: 0024-sc-251254Size: 250 mLDry Ice: NoHazardous: No
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CAT#:0024-sc-251254Size:250 mL
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CAS Number
1070-10-6

Chemical Information

Tetrakis(2-ethylhexyl) titanate
CAS Number1070-10-6
PubChem CID101956
IUPAC Nametetrakis(2-ethylhexan-1-olate);titanium(4+)
Molecular FormulaC32H68O4Ti
Molecular Weight564.7
Topological Polar Surface Area92.2
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count4
Rotatable Bond Count20
Heavy Atom Count37
Formal Charge0
Complexity52
SMILES
CCCCC(CC)C[O-].CCCCC(CC)C[O-].CCCCC(CC)C[O-].CCCCC(CC)C[O-].[Ti+4]
InChI
InChI=1S/4C8H17O.Ti/c4*1-3-5-6-8(4-2)7-9;/h4*8H,3-7H2,1-2H3;/q4*-1;+4
InChIKey
KTXWGMUMDPYXNN-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Tetrakis(2-ethylhexyl) titanate
CAS: 1070-10-6
CID: 101956
Formula: C32H68O4Ti
MW: 564.7
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight564.7
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count4
Rotatable Bond Count20
Exact Mass564.4597013
Monoisotopic Mass564.4597013
Topological Polar Surface Area92.2 Ų
Heavy Atom Count37
Formal Charge0
Complexity52.5
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count4
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count5
Compound Is CanonicalizedYes

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