bis(diethylazanium);dioxido(oxo)titanium

C8H24N2O3Ti — CID 88610004

IUPACbis(diethylazanium);dioxido(oxo)titanium
SMILESCC[NH2+]CC.CC[NH2+]CC.O=[Ti]([O-])[O-]
InChIInChI=1S/2C4H11N.3O.Ti/c2*1-3-5-4-2;;;;/h2*5H,3-4H2,1-2H3;;;;/q;;;2*-1;/p+2
InChIKeyLBKIBCVFNDDKCY-UHFFFAOYSA-P
MW244.16 g/mol
LogP-3.32
Rot. Bonds4

About bis(diethylazanium);dioxido(oxo)titanium

bis(diethylazanium);dioxido(oxo)titanium (PubChem CID 88610004) has the molecular formula C8H24N2O3Ti and a molecular weight of 244.16 g/mol. Its IUPAC name is bis(diethylazanium);dioxido(oxo)titanium.

Molecular Properties

Compound Namebis(diethylazanium);dioxido(oxo)titanium
PubChem CID88610004
Molecular FormulaC8H24N2O3Ti
Molecular Weight244.16 g/mol
Exact Mass244.13
IUPAC Namebis(diethylazanium);dioxido(oxo)titanium
SMILESCC[NH2+]CC.CC[NH2+]CC.O=[Ti]([O-])[O-]
InChIInChI=1S/2C4H11N.3O.Ti/c2*1-3-5-4-2;;;;/h2*5H,3-4H2,1-2H3;;;;/q;;;2*-1;/p+2
InChIKeyLBKIBCVFNDDKCY-UHFFFAOYSA-P
XLogP-3.32
TPSA96.41 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.16
LogP ≤ 5-3.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of bis(diethylazanium);dioxido(oxo)titanium?
The IUPAC name of bis(diethylazanium);dioxido(oxo)titanium (CID 88610004) is bis(diethylazanium);dioxido(oxo)titanium.
What is the SMILES notation for bis(diethylazanium);dioxido(oxo)titanium?
The canonical SMILES for bis(diethylazanium);dioxido(oxo)titanium is CC[NH2+]CC.CC[NH2+]CC.O=[Ti]([O-])[O-].
What is the InChIKey of bis(diethylazanium);dioxido(oxo)titanium?
The InChIKey is LBKIBCVFNDDKCY-UHFFFAOYSA-P. The full InChI is InChI=1S/2C4H11N.3O.Ti/c2*1-3-5-4-2;;;;/h2*5H,3-4H2,1-2H3;;;;/q;;;2*-1;/p+2.
What are the key properties of bis(diethylazanium);dioxido(oxo)titanium?
bis(diethylazanium);dioxido(oxo)titanium has a molecular weight of 244.16 g/mol, XLogP of -3.32, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for bis(diethylazanium);dioxido(oxo)titanium is sourced from PubChem (CID 88610004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).