tris(2-methylpropan-1-ol);titanium

C12H30O3Ti — CID 87503095

IUPACtris(2-methylpropan-1-ol);titanium
SMILESCC(C)CO.CC(C)CO.CC(C)CO.[Ti]
InChIInChI=1S/3C4H10O.Ti/c3*1-4(2)3-5;/h3*4-5H,3H2,1-2H3;
InChIKeyHIDWBZFSUAQFQR-UHFFFAOYSA-N
MW270.24 g/mol
LogP1.90
Rot. Bonds3

About tris(2-methylpropan-1-ol);titanium

tris(2-methylpropan-1-ol);titanium (PubChem CID 87503095) has the molecular formula C12H30O3Ti and a molecular weight of 270.24 g/mol. Its IUPAC name is tris(2-methylpropan-1-ol);titanium.

Molecular Properties

Compound Nametris(2-methylpropan-1-ol);titanium
PubChem CID87503095
Molecular FormulaC12H30O3Ti
Molecular Weight270.24 g/mol
Exact Mass270.17
IUPAC Nametris(2-methylpropan-1-ol);titanium
SMILESCC(C)CO.CC(C)CO.CC(C)CO.[Ti]
InChIInChI=1S/3C4H10O.Ti/c3*1-4(2)3-5;/h3*4-5H,3H2,1-2H3;
InChIKeyHIDWBZFSUAQFQR-UHFFFAOYSA-N
XLogP1.90
TPSA60.69 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.24
LogP ≤ 51.90
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-methylpropan-1-ol;titanium;dihydrochloride
CID 174321240
bis(2-methylpropan-1-ol);bis(propan-2-ol);titanium
CID 22628754
lanthanum;tris(2-methylpropan-1-ol)
CID 140708551
CID 131872176
CID 131872176
2-methylpropan-1-ol;zinc
CID 151745482
azane;tris(2-methylpropan-1-ol)
CID 175819145
2-methylpropan-1-ol;zirconium(3+)
CID 150803706
sodium;2-methylpropan-1-ol;chloride
CID 172733950
2-methylpropan-1-ol;zirconium;hydrochloride
CID 174563411
magnesium;hydride;2-methylpropan-1-ol;hydrochloride
CID 173490256
2,2-dimethylpropane;2-methylpropan-1-ol
CID 158369394
magnesium;hydride;2-methylpropan-1-ol;hydroiodide
CID 174198179

Frequently Asked Questions

What is the IUPAC name of tris(2-methylpropan-1-ol);titanium?
The IUPAC name of tris(2-methylpropan-1-ol);titanium (CID 87503095) is tris(2-methylpropan-1-ol);titanium.
What is the SMILES notation for tris(2-methylpropan-1-ol);titanium?
The canonical SMILES for tris(2-methylpropan-1-ol);titanium is CC(C)CO.CC(C)CO.CC(C)CO.[Ti].
What is the InChIKey of tris(2-methylpropan-1-ol);titanium?
The InChIKey is HIDWBZFSUAQFQR-UHFFFAOYSA-N. The full InChI is InChI=1S/3C4H10O.Ti/c3*1-4(2)3-5;/h3*4-5H,3H2,1-2H3;.
What are the key properties of tris(2-methylpropan-1-ol);titanium?
tris(2-methylpropan-1-ol);titanium has a molecular weight of 270.24 g/mol, XLogP of 1.90, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tris(2-methylpropan-1-ol);titanium is sourced from PubChem (CID 87503095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).