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

C24H52O4Ti — CID 22496813

IUPACtetrakis(2-methylpentan-2-olate);titanium(4+)
SMILESCCCC(C)(C)[O-].CCCC(C)(C)[O-].CCCC(C)(C)[O-].CCCC(C)(C)[O-].[Ti+4]
InChIInChI=1S/4C6H13O.Ti/c4*1-4-5-6(2,3)7;/h4*4-5H2,1-3H3;/q4*-1;+4
InChIKeyBRPVAJXFXKTZQC-UHFFFAOYSA-N
MW452.54 g/mol
LogP3.70
Rot. Bonds8

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

tetrakis(2-methylpentan-2-olate);titanium(4+) (PubChem CID 22496813) has the molecular formula C24H52O4Ti and a molecular weight of 452.54 g/mol. Its IUPAC name is tetrakis(2-methylpentan-2-olate);titanium(4+).

Molecular Properties

Compound Nametetrakis(2-methylpentan-2-olate);titanium(4+)
PubChem CID22496813
Molecular FormulaC24H52O4Ti
Molecular Weight452.54 g/mol
Exact Mass452.33
IUPAC Nametetrakis(2-methylpentan-2-olate);titanium(4+)
SMILESCCCC(C)(C)[O-].CCCC(C)(C)[O-].CCCC(C)(C)[O-].CCCC(C)(C)[O-].[Ti+4]
InChIInChI=1S/4C6H13O.Ti/c4*1-4-5-6(2,3)7;/h4*4-5H2,1-3H3;/q4*-1;+4
InChIKeyBRPVAJXFXKTZQC-UHFFFAOYSA-N
XLogP3.70
TPSA92.24 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500452.54
LogP ≤ 53.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of tetrakis(2-methylpentan-2-olate);titanium(4+)?
The IUPAC name of tetrakis(2-methylpentan-2-olate);titanium(4+) (CID 22496813) is tetrakis(2-methylpentan-2-olate);titanium(4+).
What is the SMILES notation for tetrakis(2-methylpentan-2-olate);titanium(4+)?
The canonical SMILES for tetrakis(2-methylpentan-2-olate);titanium(4+) is CCCC(C)(C)[O-].CCCC(C)(C)[O-].CCCC(C)(C)[O-].CCCC(C)(C)[O-].[Ti+4].
What is the InChIKey of tetrakis(2-methylpentan-2-olate);titanium(4+)?
The InChIKey is BRPVAJXFXKTZQC-UHFFFAOYSA-N. The full InChI is InChI=1S/4C6H13O.Ti/c4*1-4-5-6(2,3)7;/h4*4-5H2,1-3H3;/q4*-1;+4.
What are the key properties of tetrakis(2-methylpentan-2-olate);titanium(4+)?
tetrakis(2-methylpentan-2-olate);titanium(4+) has a molecular weight of 452.54 g/mol, XLogP of 3.70, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tetrakis(2-methylpentan-2-olate);titanium(4+) is sourced from PubChem (CID 22496813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).