(2R,4R)-2-methoxy-4-methyl-1,3-dioxane

C₆H₁₂O₃ — CID 13356634

About (2R,4R)-2-methoxy-4-methyl-1,3-dioxane

(2R,4R)-2-methoxy-4-methyl-1,3-dioxane (PubChem CID 13356634) has the molecular formula C₆H₁₂O₃ and a molecular weight of 132.16 g/mol. Its IUPAC name is (2R,4R)-2-methoxy-4-methyl-1,3-dioxane.

Molecular Properties

• Compound Name: (2R,4R)-2-methoxy-4-methyl-1,3-dioxane
• PubChem CID: 13356634
• Molecular Formula: C₆H₁₂O₃
• Molecular Weight: 132.16 g/mol
• Exact Mass: 132.08
• IUPAC Name: (2R,4R)-2-methoxy-4-methyl-1,3-dioxane
• SMILES: CO[C@@H]1OCC[C@@H](C)O1
• InChI: InChI=1S/C6H12O3/c1-5-3-4-8-6(7-2)9-5/h5-6H,3-4H2,1-2H3/t5-,6-/m1/s1
• InChIKey: PPNFCQJTRMEVLI-PHDIDXHHSA-N
• XLogP: 0.74
• TPSA: 27.69 Ų
• H-Bond Acceptors: 3
• Rotatable Bonds: 1
• Heavy Atoms: 9
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	132.16
LogP ≤ 5	0.74
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of (2R,4R)-2-methoxy-4-methyl-1,3-dioxane?

The IUPAC name of (2R,4R)-2-methoxy-4-methyl-1,3-dioxane (CID 13356634) is (2R,4R)-2-methoxy-4-methyl-1,3-dioxane.

What is the SMILES notation for (2R,4R)-2-methoxy-4-methyl-1,3-dioxane?

The canonical SMILES for (2R,4R)-2-methoxy-4-methyl-1,3-dioxane is CO[C@@H]1OCC[C@@H](C)O1.

What is the InChIKey of (2R,4R)-2-methoxy-4-methyl-1,3-dioxane?

The InChIKey is PPNFCQJTRMEVLI-PHDIDXHHSA-N. The full InChI is InChI=1S/C6H12O3/c1-5-3-4-8-6(7-2)9-5/h5-6H,3-4H2,1-2H3/t5-,6-/m1/s1.

What are the key properties of (2R,4R)-2-methoxy-4-methyl-1,3-dioxane?

(2R,4R)-2-methoxy-4-methyl-1,3-dioxane has a molecular weight of 132.16 g/mol, XLogP of 0.74, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for (2R,4R)-2-methoxy-4-methyl-1,3-dioxane is sourced from PubChem (CID 13356634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 13356634 — identifiers, structure, computed properties (public domain)

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