5-methoxy-2-methyl-1,3-dioxane

C6H12O3 — CID 19438567

IUPAC5-methoxy-2-methyl-1,3-dioxane
SMILESCOC1COC(C)OC1
InChIInChI=1S/C6H12O3/c1-5-8-3-6(7-2)4-9-5/h5-6H,3-4H2,1-2H3
InChIKeyBYKKGXDDOHHNJL-UHFFFAOYSA-N
MW132.16 g/mol
LogP0.39
Rot. Bonds1

About 5-methoxy-2-methyl-1,3-dioxane

5-methoxy-2-methyl-1,3-dioxane (PubChem CID 19438567) has the molecular formula C6H12O3 and a molecular weight of 132.16 g/mol. Its IUPAC name is 5-methoxy-2-methyl-1,3-dioxane.

Molecular Properties

Compound Name5-methoxy-2-methyl-1,3-dioxane
PubChem CID19438567
Molecular FormulaC6H12O3
Molecular Weight132.16 g/mol
Exact Mass132.08
IUPAC Name5-methoxy-2-methyl-1,3-dioxane
SMILESCOC1COC(C)OC1
InChIInChI=1S/C6H12O3/c1-5-8-3-6(7-2)4-9-5/h5-6H,3-4H2,1-2H3
InChIKeyBYKKGXDDOHHNJL-UHFFFAOYSA-N
XLogP0.39
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500132.16
LogP ≤ 50.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-methoxy-2-methyl-1,3-dioxane?
The IUPAC name of 5-methoxy-2-methyl-1,3-dioxane (CID 19438567) is 5-methoxy-2-methyl-1,3-dioxane.
What is the SMILES notation for 5-methoxy-2-methyl-1,3-dioxane?
The canonical SMILES for 5-methoxy-2-methyl-1,3-dioxane is COC1COC(C)OC1.
What is the InChIKey of 5-methoxy-2-methyl-1,3-dioxane?
The InChIKey is BYKKGXDDOHHNJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12O3/c1-5-8-3-6(7-2)4-9-5/h5-6H,3-4H2,1-2H3.
What are the key properties of 5-methoxy-2-methyl-1,3-dioxane?
5-methoxy-2-methyl-1,3-dioxane has a molecular weight of 132.16 g/mol, XLogP of 0.39, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxy-2-methyl-1,3-dioxane is sourced from PubChem (CID 19438567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).