tris(2-methylpropan-2-olate);titanium(4+);hydroxide

C12H28O4Ti — CID 101188684

IUPACtris(2-methylpropan-2-olate);titanium(4+);hydroxide
SMILESCC(C)(C)[O-].CC(C)(C)[O-].CC(C)(C)[O-].[OH-].[Ti+4]
InChIInChI=1S/3C4H9O.H2O.Ti/c3*1-4(2,3)5;;/h3*1-3H3;1H2;/q3*-1;;+4/p-1
InChIKeyNQTQMZJRAUKWJY-UHFFFAOYSA-M
MW284.22 g/mol
LogP0.26
Rot. Bonds

About tris(2-methylpropan-2-olate);titanium(4+);hydroxide

tris(2-methylpropan-2-olate);titanium(4+);hydroxide (PubChem CID 101188684) has the molecular formula C12H28O4Ti and a molecular weight of 284.22 g/mol. Its IUPAC name is tris(2-methylpropan-2-olate);titanium(4+);hydroxide.

Molecular Properties

Compound Nametris(2-methylpropan-2-olate);titanium(4+);hydroxide
PubChem CID101188684
Molecular FormulaC12H28O4Ti
Molecular Weight284.22 g/mol
Exact Mass284.15
IUPAC Nametris(2-methylpropan-2-olate);titanium(4+);hydroxide
SMILESCC(C)(C)[O-].CC(C)(C)[O-].CC(C)(C)[O-].[OH-].[Ti+4]
InChIInChI=1S/3C4H9O.H2O.Ti/c3*1-4(2,3)5;;/h3*1-3H3;1H2;/q3*-1;;+4/p-1
InChIKeyNQTQMZJRAUKWJY-UHFFFAOYSA-M
XLogP0.26
TPSA99.18 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.22
LogP ≤ 50.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

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ditert-butylalumanylium;2-methylpropan-2-olate
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CID 136915932
CID 136915932
aluminum;2-methyl-2-oxidooxypropane;bis(2-methylpropan-2-olate)
CID 101066233
potassium;2-methylpropan-2-olate;methylsulfinylmethane
CID 87549036
magnesium;2-methylpropan-2-olate;prop-1-ene
CID 11400811
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CID 174928811

Frequently Asked Questions

What is the IUPAC name of tris(2-methylpropan-2-olate);titanium(4+);hydroxide?
The IUPAC name of tris(2-methylpropan-2-olate);titanium(4+);hydroxide (CID 101188684) is tris(2-methylpropan-2-olate);titanium(4+);hydroxide.
What is the SMILES notation for tris(2-methylpropan-2-olate);titanium(4+);hydroxide?
The canonical SMILES for tris(2-methylpropan-2-olate);titanium(4+);hydroxide is CC(C)(C)[O-].CC(C)(C)[O-].CC(C)(C)[O-].[OH-].[Ti+4].
What is the InChIKey of tris(2-methylpropan-2-olate);titanium(4+);hydroxide?
The InChIKey is NQTQMZJRAUKWJY-UHFFFAOYSA-M. The full InChI is InChI=1S/3C4H9O.H2O.Ti/c3*1-4(2,3)5;;/h3*1-3H3;1H2;/q3*-1;;+4/p-1.
What are the key properties of tris(2-methylpropan-2-olate);titanium(4+);hydroxide?
tris(2-methylpropan-2-olate);titanium(4+);hydroxide has a molecular weight of 284.22 g/mol, XLogP of 0.26, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tris(2-methylpropan-2-olate);titanium(4+);hydroxide is sourced from PubChem (CID 101188684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).