ethanol;oxotitanium;dihydrochloride

C4H14Cl2O3Ti — CID 88684132

IUPACethanol;oxotitanium;dihydrochloride
SMILESCCO.CCO.Cl.Cl.O=[Ti]
InChIInChI=1S/2C2H6O.2ClH.O.Ti/c2*1-2-3;;;;/h2*3H,2H2,1H3;2*1H;;
InChIKeyUTHPLTROUWMCHW-UHFFFAOYSA-N
MW228.93 g/mol
LogP0.72
Rot. Bonds

About ethanol;oxotitanium;dihydrochloride

ethanol;oxotitanium;dihydrochloride (PubChem CID 88684132) has the molecular formula C4H14Cl2O3Ti and a molecular weight of 228.93 g/mol. Its IUPAC name is ethanol;oxotitanium;dihydrochloride.

Molecular Properties

Compound Nameethanol;oxotitanium;dihydrochloride
PubChem CID88684132
Molecular FormulaC4H14Cl2O3Ti
Molecular Weight228.93 g/mol
Exact Mass227.98
IUPAC Nameethanol;oxotitanium;dihydrochloride
SMILESCCO.CCO.Cl.Cl.O=[Ti]
InChIInChI=1S/2C2H6O.2ClH.O.Ti/c2*1-2-3;;;;/h2*3H,2H2,1H3;2*1H;;
InChIKeyUTHPLTROUWMCHW-UHFFFAOYSA-N
XLogP0.72
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.93
LogP ≤ 50.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of ethanol;oxotitanium;dihydrochloride?
The IUPAC name of ethanol;oxotitanium;dihydrochloride (CID 88684132) is ethanol;oxotitanium;dihydrochloride.
What is the SMILES notation for ethanol;oxotitanium;dihydrochloride?
The canonical SMILES for ethanol;oxotitanium;dihydrochloride is CCO.CCO.Cl.Cl.O=[Ti].
What is the InChIKey of ethanol;oxotitanium;dihydrochloride?
The InChIKey is UTHPLTROUWMCHW-UHFFFAOYSA-N. The full InChI is InChI=1S/2C2H6O.2ClH.O.Ti/c2*1-2-3;;;;/h2*3H,2H2,1H3;2*1H;;.
What are the key properties of ethanol;oxotitanium;dihydrochloride?
ethanol;oxotitanium;dihydrochloride has a molecular weight of 228.93 g/mol, XLogP of 0.72, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethanol;oxotitanium;dihydrochloride is sourced from PubChem (CID 88684132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).