tetrakis(2-methylbutan-1-olate);titanium(4+)

C20H44O4Ti — CID 22496767

IUPACtetrakis(2-methylbutan-1-olate);titanium(4+)
SMILESCCC(C)C[O-].CCC(C)C[O-].CCC(C)C[O-].CCC(C)C[O-].[Ti+4]
InChIInChI=1S/4C5H11O.Ti/c4*1-3-5(2)4-6;/h4*5H,3-4H2,1-2H3;/q4*-1;+4
InChIKeyIGFNEMUKNLKFGL-UHFFFAOYSA-N
MW396.44 g/mol
LogP1.57
Rot. Bonds8

About tetrakis(2-methylbutan-1-olate);titanium(4+)

tetrakis(2-methylbutan-1-olate);titanium(4+) (PubChem CID 22496767) has the molecular formula C20H44O4Ti and a molecular weight of 396.44 g/mol. Its IUPAC name is tetrakis(2-methylbutan-1-olate);titanium(4+).

Molecular Properties

Compound Nametetrakis(2-methylbutan-1-olate);titanium(4+)
PubChem CID22496767
Molecular FormulaC20H44O4Ti
Molecular Weight396.44 g/mol
Exact Mass396.27
IUPAC Nametetrakis(2-methylbutan-1-olate);titanium(4+)
SMILESCCC(C)C[O-].CCC(C)C[O-].CCC(C)C[O-].CCC(C)C[O-].[Ti+4]
InChIInChI=1S/4C5H11O.Ti/c4*1-3-5(2)4-6;/h4*5H,3-4H2,1-2H3;/q4*-1;+4
InChIKeyIGFNEMUKNLKFGL-UHFFFAOYSA-N
XLogP1.57
TPSA92.24 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.44
LogP ≤ 51.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

sodium 2-methylbutan-1-olate
CID 23683800
3-methylpentane;propane
CID 123266773
methane;3-methylpentane
CID 153359275
3-methylpentane;hydrate
CID 144914279
methane;3-methylpentane
CID 157218592
ethane;3-methylpentane
CID 91147782
lithium 2-methylpentan-1-olate
CID 87387163
methane;3-methylpentane;tritioethyne
CID 159244363
methanolate;2-methylbutylaluminum(2+)
CID 19766055
methyl(2-methylbutyl)silane
CID 123564774
3,5-dimethylheptane;ethane
CID 172617343
2-methylbutane-1-tellurol
CID 174450990

Frequently Asked Questions

What is the IUPAC name of tetrakis(2-methylbutan-1-olate);titanium(4+)?
The IUPAC name of tetrakis(2-methylbutan-1-olate);titanium(4+) (CID 22496767) is tetrakis(2-methylbutan-1-olate);titanium(4+).
What is the SMILES notation for tetrakis(2-methylbutan-1-olate);titanium(4+)?
The canonical SMILES for tetrakis(2-methylbutan-1-olate);titanium(4+) is CCC(C)C[O-].CCC(C)C[O-].CCC(C)C[O-].CCC(C)C[O-].[Ti+4].
What is the InChIKey of tetrakis(2-methylbutan-1-olate);titanium(4+)?
The InChIKey is IGFNEMUKNLKFGL-UHFFFAOYSA-N. The full InChI is InChI=1S/4C5H11O.Ti/c4*1-3-5(2)4-6;/h4*5H,3-4H2,1-2H3;/q4*-1;+4.
What are the key properties of tetrakis(2-methylbutan-1-olate);titanium(4+)?
tetrakis(2-methylbutan-1-olate);titanium(4+) has a molecular weight of 396.44 g/mol, XLogP of 1.57, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tetrakis(2-methylbutan-1-olate);titanium(4+) is sourced from PubChem (CID 22496767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).