alumane;dioxotitanium;formic acid

CH5AlO4Ti — CID 174864023

IUPACalumane;dioxotitanium;formic acid
SMILESO=CO.O=[Ti]=O.[AlH3]
InChIInChI=1S/CH2O2.Al.2O.Ti.3H/c2-1-3;;;;;;;/h1H,(H,2,3);;;;;;;
InChIKeyNWLMZGGQLWSCCG-UHFFFAOYSA-N
MW155.90 g/mol
LogP-1.72
Rot. Bonds

About alumane;dioxotitanium;formic acid

alumane;dioxotitanium;formic acid (PubChem CID 174864023) has the molecular formula CH5AlO4Ti and a molecular weight of 155.90 g/mol. Its IUPAC name is alumane;dioxotitanium;formic acid.

Molecular Properties

Compound Namealumane;dioxotitanium;formic acid
PubChem CID174864023
Molecular FormulaCH5AlO4Ti
Molecular Weight155.90 g/mol
Exact Mass155.95
IUPAC Namealumane;dioxotitanium;formic acid
SMILESO=CO.O=[Ti]=O.[AlH3]
InChIInChI=1S/CH2O2.Al.2O.Ti.3H/c2-1-3;;;;;;;/h1H,(H,2,3);;;;;;;
InChIKeyNWLMZGGQLWSCCG-UHFFFAOYSA-N
XLogP-1.72
TPSA71.44 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.90
LogP ≤ 5-1.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of alumane;dioxotitanium;formic acid?
The IUPAC name of alumane;dioxotitanium;formic acid (CID 174864023) is alumane;dioxotitanium;formic acid.
What is the SMILES notation for alumane;dioxotitanium;formic acid?
The canonical SMILES for alumane;dioxotitanium;formic acid is O=CO.O=[Ti]=O.[AlH3].
What is the InChIKey of alumane;dioxotitanium;formic acid?
The InChIKey is NWLMZGGQLWSCCG-UHFFFAOYSA-N. The full InChI is InChI=1S/CH2O2.Al.2O.Ti.3H/c2-1-3;;;;;;;/h1H,(H,2,3);;;;;;;.
What are the key properties of alumane;dioxotitanium;formic acid?
alumane;dioxotitanium;formic acid has a molecular weight of 155.90 g/mol, XLogP of -1.72, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for alumane;dioxotitanium;formic acid is sourced from PubChem (CID 174864023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).