2-methylpropan-2-ol;titanium(4+)

C4H10OTi+4 — CID 159912750

IUPAC2-methylpropan-2-ol;titanium(4+)
SMILESCC(C)(C)O.[Ti+4]
InChIInChI=1S/C4H10O.Ti/c1-4(2,3)5;/h5H,1-3H3;/q;+4
InChIKeyNXJRCAHAFZDESI-UHFFFAOYSA-N
MW121.99 g/mol
LogP0.77
Rot. Bonds

About 2-methylpropan-2-ol;titanium(4+)

2-methylpropan-2-ol;titanium(4+) (PubChem CID 159912750) has the molecular formula C4H10OTi+4 and a molecular weight of 121.99 g/mol. Its IUPAC name is 2-methylpropan-2-ol;titanium(4+).

Molecular Properties

Compound Name2-methylpropan-2-ol;titanium(4+)
PubChem CID159912750
Molecular FormulaC4H10OTi+4
Molecular Weight121.99 g/mol
Exact Mass122.02
IUPAC Name2-methylpropan-2-ol;titanium(4+)
SMILESCC(C)(C)O.[Ti+4]
InChIInChI=1S/C4H10O.Ti/c1-4(2,3)5;/h5H,1-3H3;/q;+4
InChIKeyNXJRCAHAFZDESI-UHFFFAOYSA-N
XLogP0.77
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500121.99
LogP ≤ 50.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-Methyl-2-butanol
CID 6405
tert-Butanol
CID 6386
Potassium tert-butoxide
CID 86639980
Sodium tert-butoxide
CID 45051916
(2H10)-2-Methylpropan-2-ol
CID 2723971
2-methylpropan-2-(2H)ol
CID 517695
1-Fluoro-2-methylpropan-2-ol
CID 10964414
2-(~2~H_3_)Methyl(~2~H_6_)propan-2-ol
CID 12985037
2-Methylpropan-2-ol--zirconium (1/1)
CID 25200170
2-(~13~C)Methyl(~13~C_3_)propan-2-ol
CID 24872149
2-(~13~C)Methyl(1,3-~13~C_2_)propan-2-ol
CID 24872151
2-Methylpropan-2-ol--water (1/2)
CID 71346507

Frequently Asked Questions

What is the IUPAC name of 2-methylpropan-2-ol;titanium(4+)?
The IUPAC name of 2-methylpropan-2-ol;titanium(4+) (CID 159912750) is 2-methylpropan-2-ol;titanium(4+).
What is the SMILES notation for 2-methylpropan-2-ol;titanium(4+)?
The canonical SMILES for 2-methylpropan-2-ol;titanium(4+) is CC(C)(C)O.[Ti+4].
What is the InChIKey of 2-methylpropan-2-ol;titanium(4+)?
The InChIKey is NXJRCAHAFZDESI-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H10O.Ti/c1-4(2,3)5;/h5H,1-3H3;/q;+4.
What are the key properties of 2-methylpropan-2-ol;titanium(4+)?
2-methylpropan-2-ol;titanium(4+) has a molecular weight of 121.99 g/mol, XLogP of 0.77, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylpropan-2-ol;titanium(4+) is sourced from PubChem (CID 159912750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).