dihydroxy(oxo)titanium;ethanol

C8H26O7Ti — CID 173240898

IUPACdihydroxy(oxo)titanium;ethanol
SMILESCCO.CCO.CCO.CCO.O=[Ti](O)O
InChIInChI=1S/4C2H6O.2H2O.O.Ti/c4*1-2-3;;;;/h4*3H,2H2,1H3;2*1H2;;/q;;;;;;;+2/p-2
InChIKeyDWJUVQUWKGFIAE-UHFFFAOYSA-L
MW282.16 g/mol
LogP-1.24
Rot. Bonds

About dihydroxy(oxo)titanium;ethanol

dihydroxy(oxo)titanium;ethanol (PubChem CID 173240898) has the molecular formula C8H26O7Ti and a molecular weight of 282.16 g/mol. Its IUPAC name is dihydroxy(oxo)titanium;ethanol.

Molecular Properties

Compound Namedihydroxy(oxo)titanium;ethanol
PubChem CID173240898
Molecular FormulaC8H26O7Ti
Molecular Weight282.16 g/mol
Exact Mass282.12
IUPAC Namedihydroxy(oxo)titanium;ethanol
SMILESCCO.CCO.CCO.CCO.O=[Ti](O)O
InChIInChI=1S/4C2H6O.2H2O.O.Ti/c4*1-2-3;;;;/h4*3H,2H2,1H3;2*1H2;;/q;;;;;;;+2/p-2
InChIKeyDWJUVQUWKGFIAE-UHFFFAOYSA-L
XLogP-1.24
TPSA138.45 Ų
H-Bond Donors6
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500282.16
LogP ≤ 5-1.24
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of dihydroxy(oxo)titanium;ethanol?
The IUPAC name of dihydroxy(oxo)titanium;ethanol (CID 173240898) is dihydroxy(oxo)titanium;ethanol.
What is the SMILES notation for dihydroxy(oxo)titanium;ethanol?
The canonical SMILES for dihydroxy(oxo)titanium;ethanol is CCO.CCO.CCO.CCO.O=[Ti](O)O.
What is the InChIKey of dihydroxy(oxo)titanium;ethanol?
The InChIKey is DWJUVQUWKGFIAE-UHFFFAOYSA-L. The full InChI is InChI=1S/4C2H6O.2H2O.O.Ti/c4*1-2-3;;;;/h4*3H,2H2,1H3;2*1H2;;/q;;;;;;;+2/p-2.
What are the key properties of dihydroxy(oxo)titanium;ethanol?
dihydroxy(oxo)titanium;ethanol has a molecular weight of 282.16 g/mol, XLogP of -1.24, 0 rotatable bonds, 6 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for dihydroxy(oxo)titanium;ethanol is sourced from PubChem (CID 173240898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).