ethanol;hydroxy(oxo)titanium

C2H7O3Ti — CID 87085418

IUPACethanol;hydroxy(oxo)titanium
SMILESCCO.O=[Ti]O
InChIInChI=1S/C2H6O.H2O.O.Ti/c1-2-3;;;/h3H,2H2,1H3;1H2;;/q;;;+1/p-1
InChIKeyJAHBIYKLUDJYBG-UHFFFAOYSA-M
MW126.94 g/mol
LogP-0.68
Rot. Bonds

About ethanol;hydroxy(oxo)titanium

ethanol;hydroxy(oxo)titanium (PubChem CID 87085418) has the molecular formula C2H7O3Ti and a molecular weight of 126.94 g/mol. Its IUPAC name is ethanol;hydroxy(oxo)titanium.

Molecular Properties

Compound Nameethanol;hydroxy(oxo)titanium
PubChem CID87085418
Molecular FormulaC2H7O3Ti
Molecular Weight126.94 g/mol
Exact Mass126.99
IUPAC Nameethanol;hydroxy(oxo)titanium
SMILESCCO.O=[Ti]O
InChIInChI=1S/C2H6O.H2O.O.Ti/c1-2-3;;;/h3H,2H2,1H3;1H2;;/q;;;+1/p-1
InChIKeyJAHBIYKLUDJYBG-UHFFFAOYSA-M
XLogP-0.68
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500126.94
LogP ≤ 5-0.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of ethanol;hydroxy(oxo)titanium?
The IUPAC name of ethanol;hydroxy(oxo)titanium (CID 87085418) is ethanol;hydroxy(oxo)titanium.
What is the SMILES notation for ethanol;hydroxy(oxo)titanium?
The canonical SMILES for ethanol;hydroxy(oxo)titanium is CCO.O=[Ti]O.
What is the InChIKey of ethanol;hydroxy(oxo)titanium?
The InChIKey is JAHBIYKLUDJYBG-UHFFFAOYSA-M. The full InChI is InChI=1S/C2H6O.H2O.O.Ti/c1-2-3;;;/h3H,2H2,1H3;1H2;;/q;;;+1/p-1.
What are the key properties of ethanol;hydroxy(oxo)titanium?
ethanol;hydroxy(oxo)titanium has a molecular weight of 126.94 g/mol, XLogP of -0.68, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethanol;hydroxy(oxo)titanium is sourced from PubChem (CID 87085418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).