2,4,6-tris(methoxymethyl)-1,3,5-trioxane

C9H18O6 — CID 163692364

IUPAC2,4,6-tris(methoxymethyl)-1,3,5-trioxane
SMILESCOCC1OC(COC)OC(COC)O1
InChIInChI=1S/C9H18O6/c1-10-4-7-13-8(5-11-2)15-9(14-7)6-12-3/h7-9H,4-6H2,1-3H3
InChIKeyJUAYBKIDCFRYII-UHFFFAOYSA-N
MW222.24 g/mol
LogP-0.03
Rot. Bonds6

About 2,4,6-tris(methoxymethyl)-1,3,5-trioxane

2,4,6-tris(methoxymethyl)-1,3,5-trioxane (PubChem CID 163692364) has the molecular formula C9H18O6 and a molecular weight of 222.24 g/mol. Its IUPAC name is 2,4,6-tris(methoxymethyl)-1,3,5-trioxane.

Molecular Properties

Compound Name2,4,6-tris(methoxymethyl)-1,3,5-trioxane
PubChem CID163692364
Molecular FormulaC9H18O6
Molecular Weight222.24 g/mol
Exact Mass222.11
IUPAC Name2,4,6-tris(methoxymethyl)-1,3,5-trioxane
SMILESCOCC1OC(COC)OC(COC)O1
InChIInChI=1S/C9H18O6/c1-10-4-7-13-8(5-11-2)15-9(14-7)6-12-3/h7-9H,4-6H2,1-3H3
InChIKeyJUAYBKIDCFRYII-UHFFFAOYSA-N
XLogP-0.03
TPSA55.38 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.24
LogP ≤ 5-0.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 2,4,6-tris(methoxymethyl)-1,3,5-trioxane 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 2,4,6-tris(methoxymethyl)-1,3,5-trioxane?
The IUPAC name of 2,4,6-tris(methoxymethyl)-1,3,5-trioxane (CID 163692364) is 2,4,6-tris(methoxymethyl)-1,3,5-trioxane.
What is the SMILES notation for 2,4,6-tris(methoxymethyl)-1,3,5-trioxane?
The canonical SMILES for 2,4,6-tris(methoxymethyl)-1,3,5-trioxane is COCC1OC(COC)OC(COC)O1.
What is the InChIKey of 2,4,6-tris(methoxymethyl)-1,3,5-trioxane?
The InChIKey is JUAYBKIDCFRYII-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18O6/c1-10-4-7-13-8(5-11-2)15-9(14-7)6-12-3/h7-9H,4-6H2,1-3H3.
What are the key properties of 2,4,6-tris(methoxymethyl)-1,3,5-trioxane?
2,4,6-tris(methoxymethyl)-1,3,5-trioxane has a molecular weight of 222.24 g/mol, XLogP of -0.03, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4,6-tris(methoxymethyl)-1,3,5-trioxane is sourced from PubChem (CID 163692364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).