2-methoxyacetaldehyde;titanium

C3H6O2Ti — CID 87066699

IUPAC2-methoxyacetaldehyde;titanium
SMILESCOCC=O.[Ti]
InChIInChI=1S/C3H6O2.Ti/c1-5-3-2-4;/h2H,3H2,1H3;
InChIKeyLHAHAUGJIWMZMF-UHFFFAOYSA-N
MW121.95 g/mol
LogP-0.17
Rot. Bonds2

About 2-methoxyacetaldehyde;titanium

2-methoxyacetaldehyde;titanium (PubChem CID 87066699) has the molecular formula C3H6O2Ti and a molecular weight of 121.95 g/mol. Its IUPAC name is 2-methoxyacetaldehyde;titanium.

Molecular Properties

Compound Name2-methoxyacetaldehyde;titanium
PubChem CID87066699
Molecular FormulaC3H6O2Ti
Molecular Weight121.95 g/mol
Exact Mass121.98
IUPAC Name2-methoxyacetaldehyde;titanium
SMILESCOCC=O.[Ti]
InChIInChI=1S/C3H6O2.Ti/c1-5-3-2-4;/h2H,3H2,1H3;
InChIKeyLHAHAUGJIWMZMF-UHFFFAOYSA-N
XLogP-0.17
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500121.95
LogP ≤ 5-0.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-methoxyacetaldehyde;titanium?
The IUPAC name of 2-methoxyacetaldehyde;titanium (CID 87066699) is 2-methoxyacetaldehyde;titanium.
What is the SMILES notation for 2-methoxyacetaldehyde;titanium?
The canonical SMILES for 2-methoxyacetaldehyde;titanium is COCC=O.[Ti].
What is the InChIKey of 2-methoxyacetaldehyde;titanium?
The InChIKey is LHAHAUGJIWMZMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H6O2.Ti/c1-5-3-2-4;/h2H,3H2,1H3;.
What are the key properties of 2-methoxyacetaldehyde;titanium?
2-methoxyacetaldehyde;titanium has a molecular weight of 121.95 g/mol, XLogP of -0.17, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxyacetaldehyde;titanium is sourced from PubChem (CID 87066699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).