tris(dioxotitanium);oxoalumane;oxotitanium

H3Al3O10Ti4 — CID 174722724

IUPACtris(dioxotitanium);oxoalumane;oxotitanium
SMILESO=[AlH].O=[AlH].O=[AlH].O=[Ti].O=[Ti]=O.O=[Ti]=O.O=[Ti]=O
InChIInChI=1S/3Al.10O.4Ti.3H
InChIKeyMTPAWOYJEBDEPW-UHFFFAOYSA-N
MW435.43 g/mol
LogP-3.14
Rot. Bonds

About tris(dioxotitanium);oxoalumane;oxotitanium

tris(dioxotitanium);oxoalumane;oxotitanium (PubChem CID 174722724) has the molecular formula H3Al3O10Ti4 and a molecular weight of 435.43 g/mol. Its IUPAC name is tris(dioxotitanium);oxoalumane;oxotitanium.

Molecular Properties

Compound Nametris(dioxotitanium);oxoalumane;oxotitanium
PubChem CID174722724
Molecular FormulaH3Al3O10Ti4
Molecular Weight435.43 g/mol
Exact Mass435.71
IUPAC Nametris(dioxotitanium);oxoalumane;oxotitanium
SMILESO=[AlH].O=[AlH].O=[AlH].O=[Ti].O=[Ti]=O.O=[Ti]=O.O=[Ti]=O
InChIInChI=1S/3Al.10O.4Ti.3H
InChIKeyMTPAWOYJEBDEPW-UHFFFAOYSA-N
XLogP-3.14
TPSA170.70 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.43
LogP ≤ 5-3.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

Analyze tris(dioxotitanium);oxoalumane;oxotitanium with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of tris(dioxotitanium);oxoalumane;oxotitanium?
The IUPAC name of tris(dioxotitanium);oxoalumane;oxotitanium (CID 174722724) is tris(dioxotitanium);oxoalumane;oxotitanium.
What is the SMILES notation for tris(dioxotitanium);oxoalumane;oxotitanium?
The canonical SMILES for tris(dioxotitanium);oxoalumane;oxotitanium is O=[AlH].O=[AlH].O=[AlH].O=[Ti].O=[Ti]=O.O=[Ti]=O.O=[Ti]=O.
What is the InChIKey of tris(dioxotitanium);oxoalumane;oxotitanium?
The InChIKey is MTPAWOYJEBDEPW-UHFFFAOYSA-N. The full InChI is InChI=1S/3Al.10O.4Ti.3H.
What are the key properties of tris(dioxotitanium);oxoalumane;oxotitanium?
tris(dioxotitanium);oxoalumane;oxotitanium has a molecular weight of 435.43 g/mol, XLogP of -3.14, 0 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for tris(dioxotitanium);oxoalumane;oxotitanium is sourced from PubChem (CID 174722724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).