ethanolate;trichlorotitanium(1+)

C2H5Cl3OTi — CID 13444715

IUPACethanolate;trichlorotitanium(1+)
SMILESCC[O-].Cl[Ti+](Cl)Cl
InChIInChI=1S/C2H5O.3ClH.Ti/c1-2-3;;;;/h2H2,1H3;3*1H;/q-1;;;;+4/p-3
InChIKeyRMTCVMQBBYEAPC-UHFFFAOYSA-K
MW199.29 g/mol
LogP1.43
Rot. Bonds

About ethanolate;trichlorotitanium(1+)

ethanolate;trichlorotitanium(1+) (PubChem CID 13444715) has the molecular formula C2H5Cl3OTi and a molecular weight of 199.29 g/mol. Its IUPAC name is ethanolate;trichlorotitanium(1+).

Molecular Properties

Compound Nameethanolate;trichlorotitanium(1+)
PubChem CID13444715
Molecular FormulaC2H5Cl3OTi
Molecular Weight199.29 g/mol
Exact Mass197.89
IUPAC Nameethanolate;trichlorotitanium(1+)
SMILESCC[O-].Cl[Ti+](Cl)Cl
InChIInChI=1S/C2H5O.3ClH.Ti/c1-2-3;;;;/h2H2,1H3;3*1H;/q-1;;;;+4/p-3
InChIKeyRMTCVMQBBYEAPC-UHFFFAOYSA-K
XLogP1.43
TPSA23.06 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.29
LogP ≤ 51.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of ethanolate;trichlorotitanium(1+)?
The IUPAC name of ethanolate;trichlorotitanium(1+) (CID 13444715) is ethanolate;trichlorotitanium(1+).
What is the SMILES notation for ethanolate;trichlorotitanium(1+)?
The canonical SMILES for ethanolate;trichlorotitanium(1+) is CC[O-].Cl[Ti+](Cl)Cl.
What is the InChIKey of ethanolate;trichlorotitanium(1+)?
The InChIKey is RMTCVMQBBYEAPC-UHFFFAOYSA-K. The full InChI is InChI=1S/C2H5O.3ClH.Ti/c1-2-3;;;;/h2H2,1H3;3*1H;/q-1;;;;+4/p-3.
What are the key properties of ethanolate;trichlorotitanium(1+)?
ethanolate;trichlorotitanium(1+) has a molecular weight of 199.29 g/mol, XLogP of 1.43, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethanolate;trichlorotitanium(1+) is sourced from PubChem (CID 13444715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).