tetrakis(butan-2-olate);titanium(4+)

C16H36O4Ti — CID 14275556

IUPACtetrakis(butan-2-olate);titanium(4+)
SMILESCCC(C)[O-].CCC(C)[O-].CCC(C)[O-].CCC(C)[O-].[Ti+4]
InChIInChI=1S/4C4H9O.Ti/c4*1-3-4(2)5;/h4*4H,3H2,1-2H3;/q4*-1;+4
InChIKeyHWCXFDGMZPRMRX-UHFFFAOYSA-N
MW340.33 g/mol
LogP0.58
Rot. Bonds4

About tetrakis(butan-2-olate);titanium(4+)

tetrakis(butan-2-olate);titanium(4+) (PubChem CID 14275556) has the molecular formula C16H36O4Ti and a molecular weight of 340.33 g/mol. Its IUPAC name is tetrakis(butan-2-olate);titanium(4+).

Molecular Properties

Compound Nametetrakis(butan-2-olate);titanium(4+)
PubChem CID14275556
Molecular FormulaC16H36O4Ti
Molecular Weight340.33 g/mol
Exact Mass340.21
IUPAC Nametetrakis(butan-2-olate);titanium(4+)
SMILESCCC(C)[O-].CCC(C)[O-].CCC(C)[O-].CCC(C)[O-].[Ti+4]
InChIInChI=1S/4C4H9O.Ti/c4*1-3-4(2)5;/h4*4H,3H2,1-2H3;/q4*-1;+4
InChIKeyHWCXFDGMZPRMRX-UHFFFAOYSA-N
XLogP0.58
TPSA92.24 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.33
LogP ≤ 50.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

Titanium tetrabutoxide
CID 21801
Titanium isopropoxide
CID 11026
Silicic acid (H4SiO4), tetrakis(1-methylpropyl) ester
CID 92992
Niobium(5+) pentapropan-2-olate
CID 12540880
Tantalum(5+) pentapropan-2-olate
CID 12540882
Tungsten(VI) isopropoxide
CID 14419745
Molybdenum (V) isopropoxide
CID 18475294
Calcium zirconium isopropoxide
CID 102602388
Potassium;hexakis(propan-2-olate);tantalum(5+)
CID 121233693
2-Propanol, molybdenum(5+) salt (9CI)
CID 138991740
Titanium s-butoxide
CID 21604007
Aluminium diisopropylate
CID 129678313

Frequently Asked Questions

What is the IUPAC name of tetrakis(butan-2-olate);titanium(4+)?
The IUPAC name of tetrakis(butan-2-olate);titanium(4+) (CID 14275556) is tetrakis(butan-2-olate);titanium(4+).
What is the SMILES notation for tetrakis(butan-2-olate);titanium(4+)?
The canonical SMILES for tetrakis(butan-2-olate);titanium(4+) is CCC(C)[O-].CCC(C)[O-].CCC(C)[O-].CCC(C)[O-].[Ti+4].
What is the InChIKey of tetrakis(butan-2-olate);titanium(4+)?
The InChIKey is HWCXFDGMZPRMRX-UHFFFAOYSA-N. The full InChI is InChI=1S/4C4H9O.Ti/c4*1-3-4(2)5;/h4*4H,3H2,1-2H3;/q4*-1;+4.
What are the key properties of tetrakis(butan-2-olate);titanium(4+)?
tetrakis(butan-2-olate);titanium(4+) has a molecular weight of 340.33 g/mol, XLogP of 0.58, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tetrakis(butan-2-olate);titanium(4+) is sourced from PubChem (CID 14275556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).