2,4,6-trimethylidene-1,3,5-trioxane

C6H6O3 — CID 163522773

IUPAC2,4,6-trimethylidene-1,3,5-trioxane
SMILESC=C1OC(=C)OC(=C)O1
InChIInChI=1S/C6H6O3/c1-4-7-5(2)9-6(3)8-4/h1-3H2
InChIKeyDMGPYFNESSARRE-UHFFFAOYSA-N
MW126.11 g/mol
LogP1.46
Rot. Bonds

About 2,4,6-trimethylidene-1,3,5-trioxane

2,4,6-trimethylidene-1,3,5-trioxane (PubChem CID 163522773) has the molecular formula C6H6O3 and a molecular weight of 126.11 g/mol. Its IUPAC name is 2,4,6-trimethylidene-1,3,5-trioxane.

Molecular Properties

Compound Name2,4,6-trimethylidene-1,3,5-trioxane
PubChem CID163522773
Molecular FormulaC6H6O3
Molecular Weight126.11 g/mol
Exact Mass126.03
IUPAC Name2,4,6-trimethylidene-1,3,5-trioxane
SMILESC=C1OC(=C)OC(=C)O1
InChIInChI=1S/C6H6O3/c1-4-7-5(2)9-6(3)8-4/h1-3H2
InChIKeyDMGPYFNESSARRE-UHFFFAOYSA-N
XLogP1.46
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500126.11
LogP ≤ 51.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2,4,6-trimethylidene-1,3,5-trioxane?
The IUPAC name of 2,4,6-trimethylidene-1,3,5-trioxane (CID 163522773) is 2,4,6-trimethylidene-1,3,5-trioxane.
What is the SMILES notation for 2,4,6-trimethylidene-1,3,5-trioxane?
The canonical SMILES for 2,4,6-trimethylidene-1,3,5-trioxane is C=C1OC(=C)OC(=C)O1.
What is the InChIKey of 2,4,6-trimethylidene-1,3,5-trioxane?
The InChIKey is DMGPYFNESSARRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6O3/c1-4-7-5(2)9-6(3)8-4/h1-3H2.
What are the key properties of 2,4,6-trimethylidene-1,3,5-trioxane?
2,4,6-trimethylidene-1,3,5-trioxane has a molecular weight of 126.11 g/mol, XLogP of 1.46, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4,6-trimethylidene-1,3,5-trioxane is sourced from PubChem (CID 163522773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).