ethanolate;titanium(4+);tribromide

C2H5Br3OTi — CID 174281065

IUPACethanolate;titanium(4+);tribromide
SMILESCC[O-].[Br-].[Br-].[Br-].[Ti+4]
InChIInChI=1S/C2H5O.3BrH.Ti/c1-2-3;;;;/h2H2,1H3;3*1H;/q-1;;;;+4/p-3
InChIKeyDJOXOOIJKINTOT-UHFFFAOYSA-K
MW332.64 g/mol
LogP-9.62
Rot. Bonds

About ethanolate;titanium(4+);tribromide

ethanolate;titanium(4+);tribromide (PubChem CID 174281065) has the molecular formula C2H5Br3OTi and a molecular weight of 332.64 g/mol. Its IUPAC name is ethanolate;titanium(4+);tribromide.

Molecular Properties

Compound Nameethanolate;titanium(4+);tribromide
PubChem CID174281065
Molecular FormulaC2H5Br3OTi
Molecular Weight332.64 g/mol
Exact Mass329.74
IUPAC Nameethanolate;titanium(4+);tribromide
SMILESCC[O-].[Br-].[Br-].[Br-].[Ti+4]
InChIInChI=1S/C2H5O.3BrH.Ti/c1-2-3;;;;/h2H2,1H3;3*1H;/q-1;;;;+4/p-3
InChIKeyDJOXOOIJKINTOT-UHFFFAOYSA-K
XLogP-9.62
TPSA23.06 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.64
LogP ≤ 5-9.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze ethanolate;titanium(4+);tribromide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

diazanium;ethanolate;bromide
CID 141441986
erbium(3+);ethanolate
CID 14029842
ethanolate;niobium
CID 18534493
CID 159434150
CID 159434150
ethanolate;vanadium(2+)
CID 160956004
potassium ethanolate
CID 23670592
ethanolate;niobium(5+);tetrafluoride
CID 102346066
triazanium;ethanolate;chloride
CID 141132734
ethanolate;methylazanium
CID 178027876
azanium;ethanolate;hydrofluoride
CID 156786956
aluminum;ethanolate;dichloride
CID 174314145
ethanolate;decakis(oxygen(2-));octakis(tantalum(5+))
CID 139153761

Frequently Asked Questions

What is the IUPAC name of ethanolate;titanium(4+);tribromide?
The IUPAC name of ethanolate;titanium(4+);tribromide (CID 174281065) is ethanolate;titanium(4+);tribromide.
What is the SMILES notation for ethanolate;titanium(4+);tribromide?
The canonical SMILES for ethanolate;titanium(4+);tribromide is CC[O-].[Br-].[Br-].[Br-].[Ti+4].
What is the InChIKey of ethanolate;titanium(4+);tribromide?
The InChIKey is DJOXOOIJKINTOT-UHFFFAOYSA-K. The full InChI is InChI=1S/C2H5O.3BrH.Ti/c1-2-3;;;;/h2H2,1H3;3*1H;/q-1;;;;+4/p-3.
What are the key properties of ethanolate;titanium(4+);tribromide?
ethanolate;titanium(4+);tribromide has a molecular weight of 332.64 g/mol, XLogP of -9.62, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethanolate;titanium(4+);tribromide is sourced from PubChem (CID 174281065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).