bis(dimethylazanium);dioxido(oxo)titanium

C4H16N2O3Ti — CID 88610005

IUPACbis(dimethylazanium);dioxido(oxo)titanium
SMILESC[NH2+]C.C[NH2+]C.O=[Ti]([O-])[O-]
InChIInChI=1S/2C2H7N.3O.Ti/c2*1-3-2;;;;/h2*3H,1-2H3;;;;/q;;;2*-1;/p+2
InChIKeyYYQDOSDVIYKDPB-UHFFFAOYSA-P
MW188.05 g/mol
LogP-4.88
Rot. Bonds

About bis(dimethylazanium);dioxido(oxo)titanium

bis(dimethylazanium);dioxido(oxo)titanium (PubChem CID 88610005) has the molecular formula C4H16N2O3Ti and a molecular weight of 188.05 g/mol. Its IUPAC name is bis(dimethylazanium);dioxido(oxo)titanium.

Molecular Properties

Compound Namebis(dimethylazanium);dioxido(oxo)titanium
PubChem CID88610005
Molecular FormulaC4H16N2O3Ti
Molecular Weight188.05 g/mol
Exact Mass188.06
IUPAC Namebis(dimethylazanium);dioxido(oxo)titanium
SMILESC[NH2+]C.C[NH2+]C.O=[Ti]([O-])[O-]
InChIInChI=1S/2C2H7N.3O.Ti/c2*1-3-2;;;;/h2*3H,1-2H3;;;;/q;;;2*-1;/p+2
InChIKeyYYQDOSDVIYKDPB-UHFFFAOYSA-P
XLogP-4.88
TPSA96.41 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.05
LogP ≤ 5-4.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of bis(dimethylazanium);dioxido(oxo)titanium?
The IUPAC name of bis(dimethylazanium);dioxido(oxo)titanium (CID 88610005) is bis(dimethylazanium);dioxido(oxo)titanium.
What is the SMILES notation for bis(dimethylazanium);dioxido(oxo)titanium?
The canonical SMILES for bis(dimethylazanium);dioxido(oxo)titanium is C[NH2+]C.C[NH2+]C.O=[Ti]([O-])[O-].
What is the InChIKey of bis(dimethylazanium);dioxido(oxo)titanium?
The InChIKey is YYQDOSDVIYKDPB-UHFFFAOYSA-P. The full InChI is InChI=1S/2C2H7N.3O.Ti/c2*1-3-2;;;;/h2*3H,1-2H3;;;;/q;;;2*-1;/p+2.
What are the key properties of bis(dimethylazanium);dioxido(oxo)titanium?
bis(dimethylazanium);dioxido(oxo)titanium has a molecular weight of 188.05 g/mol, XLogP of -4.88, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for bis(dimethylazanium);dioxido(oxo)titanium is sourced from PubChem (CID 88610005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).