Titanium dioxide

Name: Titanium dioxide — Molecular Data
Creator: MolForge
License: https://creativecommons.org/publicdomain/zero/1.0/

O₂Ti — CID 26042

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Data last refreshed: 2026-04-14 (MolForge compound catalog, from PubChem)

IUPACdioxotitanium

SMILESO=[Ti]=O

InChIInChI=1S/2O.Ti

InChIKeyGWEVSGVZZGPLCZ-UHFFFAOYSA-N

MW79.86 g/mol

LogP-0.24

Rot. Bonds

About Titanium dioxide

Titanium dioxide (PubChem CID 26042) has the molecular formula O₂Ti and a molecular weight of 79.86 g/mol. Its IUPAC name is dioxotitanium.

Molecular Properties

Compound Name	Titanium dioxide
PubChem CID	26042
Molecular Formula	O₂Ti
Molecular Weight	79.86 g/mol
Exact Mass	79.94
IUPAC Name	dioxotitanium
SMILES	O=[Ti]=O
InChI	InChI=1S/2O.Ti
InChIKey	GWEVSGVZZGPLCZ-UHFFFAOYSA-N
XLogP	-0.24
TPSA	34.14 Å²
H-Bond Donors
H-Bond Acceptors	2
Rotatable Bonds
Heavy Atoms	3
Complexity	—

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	79.86
LogP ≤ 5	-0.24
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	2

Related Compounds

Frequently Asked Questions

What is the IUPAC name of Titanium dioxide?

The IUPAC name of Titanium dioxide (CID 26042) is dioxotitanium.

What is the SMILES notation for Titanium dioxide?

The canonical SMILES for Titanium dioxide is O=[Ti]=O.

What is the InChIKey of Titanium dioxide?

The InChIKey is GWEVSGVZZGPLCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/2O.Ti.

What are the key properties of Titanium dioxide?

Titanium dioxide has a molecular weight of 79.86 g/mol, XLogP of -0.24, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for Titanium dioxide is sourced from PubChem (CID 26042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Browse: Molecules: T · all molecules A–Z · drugs A–Z · protein targets A–Z.

Sources

PubChem CID 26042 — identifiers, structure, computed properties (public domain)
DrugCentral drug card 4237 — approved-drug record (CC BY-SA 4.0)

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