dioxido(oxo)titanium;bis(triethylazanium)

C12H32N2O3Ti — CID 88846724

IUPACdioxido(oxo)titanium;bis(triethylazanium)
SMILESCC[NH+](CC)CC.CC[NH+](CC)CC.O=[Ti]([O-])[O-]
InChIInChI=1S/2C6H15N.3O.Ti/c2*1-4-7(5-2)6-3;;;;/h2*4-6H2,1-3H3;;;;/q;;;2*-1;/p+2
InChIKeyQBICYRHWZCYKNJ-UHFFFAOYSA-P
MW300.27 g/mol
LogP-2.64
Rot. Bonds6

About dioxido(oxo)titanium;bis(triethylazanium)

dioxido(oxo)titanium;bis(triethylazanium) (PubChem CID 88846724) has the molecular formula C12H32N2O3Ti and a molecular weight of 300.27 g/mol. Its IUPAC name is dioxido(oxo)titanium;bis(triethylazanium).

Molecular Properties

Compound Namedioxido(oxo)titanium;bis(triethylazanium)
PubChem CID88846724
Molecular FormulaC12H32N2O3Ti
Molecular Weight300.27 g/mol
Exact Mass300.19
IUPAC Namedioxido(oxo)titanium;bis(triethylazanium)
SMILESCC[NH+](CC)CC.CC[NH+](CC)CC.O=[Ti]([O-])[O-]
InChIInChI=1S/2C6H15N.3O.Ti/c2*1-4-7(5-2)6-3;;;;/h2*4-6H2,1-3H3;;;;/q;;;2*-1;/p+2
InChIKeyQBICYRHWZCYKNJ-UHFFFAOYSA-P
XLogP-2.64
TPSA72.07 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.27
LogP ≤ 5-2.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of dioxido(oxo)titanium;bis(triethylazanium)?
The IUPAC name of dioxido(oxo)titanium;bis(triethylazanium) (CID 88846724) is dioxido(oxo)titanium;bis(triethylazanium).
What is the SMILES notation for dioxido(oxo)titanium;bis(triethylazanium)?
The canonical SMILES for dioxido(oxo)titanium;bis(triethylazanium) is CC[NH+](CC)CC.CC[NH+](CC)CC.O=[Ti]([O-])[O-].
What is the InChIKey of dioxido(oxo)titanium;bis(triethylazanium)?
The InChIKey is QBICYRHWZCYKNJ-UHFFFAOYSA-P. The full InChI is InChI=1S/2C6H15N.3O.Ti/c2*1-4-7(5-2)6-3;;;;/h2*4-6H2,1-3H3;;;;/q;;;2*-1;/p+2.
What are the key properties of dioxido(oxo)titanium;bis(triethylazanium)?
dioxido(oxo)titanium;bis(triethylazanium) has a molecular weight of 300.27 g/mol, XLogP of -2.64, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for dioxido(oxo)titanium;bis(triethylazanium) is sourced from PubChem (CID 88846724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).