5,5,6,6-tetramethyl-1,2,4-trioxane

C7H14O3 — CID 15151290

IUPAC5,5,6,6-tetramethyl-1,2,4-trioxane
SMILESCC1(C)OCOOC1(C)C
InChIInChI=1S/C7H14O3/c1-6(2)7(3,4)10-9-5-8-6/h5H2,1-4H3
InChIKeyIUZIFOBQXVHSNC-UHFFFAOYSA-N
MW146.19 g/mol
LogP1.48
Rot. Bonds

About 5,5,6,6-tetramethyl-1,2,4-trioxane

5,5,6,6-tetramethyl-1,2,4-trioxane (PubChem CID 15151290) has the molecular formula C7H14O3 and a molecular weight of 146.19 g/mol. Its IUPAC name is 5,5,6,6-tetramethyl-1,2,4-trioxane.

Molecular Properties

Compound Name5,5,6,6-tetramethyl-1,2,4-trioxane
PubChem CID15151290
Molecular FormulaC7H14O3
Molecular Weight146.19 g/mol
Exact Mass146.09
IUPAC Name5,5,6,6-tetramethyl-1,2,4-trioxane
SMILESCC1(C)OCOOC1(C)C
InChIInChI=1S/C7H14O3/c1-6(2)7(3,4)10-9-5-8-6/h5H2,1-4H3
InChIKeyIUZIFOBQXVHSNC-UHFFFAOYSA-N
XLogP1.48
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500146.19
LogP ≤ 51.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5,5,6,6-tetramethyl-1,2,4-trioxane?
The IUPAC name of 5,5,6,6-tetramethyl-1,2,4-trioxane (CID 15151290) is 5,5,6,6-tetramethyl-1,2,4-trioxane.
What is the SMILES notation for 5,5,6,6-tetramethyl-1,2,4-trioxane?
The canonical SMILES for 5,5,6,6-tetramethyl-1,2,4-trioxane is CC1(C)OCOOC1(C)C.
What is the InChIKey of 5,5,6,6-tetramethyl-1,2,4-trioxane?
The InChIKey is IUZIFOBQXVHSNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14O3/c1-6(2)7(3,4)10-9-5-8-6/h5H2,1-4H3.
What are the key properties of 5,5,6,6-tetramethyl-1,2,4-trioxane?
5,5,6,6-tetramethyl-1,2,4-trioxane has a molecular weight of 146.19 g/mol, XLogP of 1.48, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5,5,6,6-tetramethyl-1,2,4-trioxane is sourced from PubChem (CID 15151290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).