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

C7H14O3 — CID 59156430

IUPAC5-methoxy-2,2-dimethyl-1,3-dioxane
SMILESCOC1COC(C)(C)OC1
InChIInChI=1S/C7H14O3/c1-7(2)9-4-6(8-3)5-10-7/h6H,4-5H2,1-3H3
InChIKeyFDMUPLSSJLNYPH-UHFFFAOYSA-N
MW146.19 g/mol
LogP0.78
Rot. Bonds1

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

5-methoxy-2,2-dimethyl-1,3-dioxane (PubChem CID 59156430) has the molecular formula C7H14O3 and a molecular weight of 146.19 g/mol. Its IUPAC name is 5-methoxy-2,2-dimethyl-1,3-dioxane.

Molecular Properties

Compound Name5-methoxy-2,2-dimethyl-1,3-dioxane
PubChem CID59156430
Molecular FormulaC7H14O3
Molecular Weight146.19 g/mol
Exact Mass146.09
IUPAC Name5-methoxy-2,2-dimethyl-1,3-dioxane
SMILESCOC1COC(C)(C)OC1
InChIInChI=1S/C7H14O3/c1-7(2)9-4-6(8-3)5-10-7/h6H,4-5H2,1-3H3
InChIKeyFDMUPLSSJLNYPH-UHFFFAOYSA-N
XLogP0.78
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500146.19
LogP ≤ 50.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-methoxy-2,2-dimethyl-1,3-dioxane?
The IUPAC name of 5-methoxy-2,2-dimethyl-1,3-dioxane (CID 59156430) is 5-methoxy-2,2-dimethyl-1,3-dioxane.
What is the SMILES notation for 5-methoxy-2,2-dimethyl-1,3-dioxane?
The canonical SMILES for 5-methoxy-2,2-dimethyl-1,3-dioxane is COC1COC(C)(C)OC1.
What is the InChIKey of 5-methoxy-2,2-dimethyl-1,3-dioxane?
The InChIKey is FDMUPLSSJLNYPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14O3/c1-7(2)9-4-6(8-3)5-10-7/h6H,4-5H2,1-3H3.
What are the key properties of 5-methoxy-2,2-dimethyl-1,3-dioxane?
5-methoxy-2,2-dimethyl-1,3-dioxane has a molecular weight of 146.19 g/mol, XLogP of 0.78, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxy-2,2-dimethyl-1,3-dioxane is sourced from PubChem (CID 59156430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).