dioxotitanium;propane

C3H8O2Ti — CID 22020571

IUPACdioxotitanium;propane
SMILESCCC.O=[Ti]=O
InChIInChI=1S/C3H8.2O.Ti/c1-3-2;;;/h3H2,1-2H3;;;
InChIKeyOXBAHGHTOZXRJS-UHFFFAOYSA-N
MW123.96 g/mol
LogP1.18
Rot. Bonds

About dioxotitanium;propane

dioxotitanium;propane (PubChem CID 22020571) has the molecular formula C3H8O2Ti and a molecular weight of 123.96 g/mol. Its IUPAC name is dioxotitanium;propane.

Molecular Properties

Compound Namedioxotitanium;propane
PubChem CID22020571
Molecular FormulaC3H8O2Ti
Molecular Weight123.96 g/mol
Exact Mass124.00
IUPAC Namedioxotitanium;propane
SMILESCCC.O=[Ti]=O
InChIInChI=1S/C3H8.2O.Ti/c1-3-2;;;/h3H2,1-2H3;;;
InChIKeyOXBAHGHTOZXRJS-UHFFFAOYSA-N
XLogP1.18
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500123.96
LogP ≤ 51.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of dioxotitanium;propane?
The IUPAC name of dioxotitanium;propane (CID 22020571) is dioxotitanium;propane.
What is the SMILES notation for dioxotitanium;propane?
The canonical SMILES for dioxotitanium;propane is CCC.O=[Ti]=O.
What is the InChIKey of dioxotitanium;propane?
The InChIKey is OXBAHGHTOZXRJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H8.2O.Ti/c1-3-2;;;/h3H2,1-2H3;;;.
What are the key properties of dioxotitanium;propane?
dioxotitanium;propane has a molecular weight of 123.96 g/mol, XLogP of 1.18, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for dioxotitanium;propane is sourced from PubChem (CID 22020571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).