5-methyl-1,3-dioxane

C5H10O2 — CID 12697736

IUPAC5-methyl-1,3-dioxane
SMILESCC1COCOC1
InChIInChI=1S/C5H10O2/c1-5-2-6-4-7-3-5/h5H,2-4H2,1H3
InChIKeyQJQAWQSNMXLUDF-UHFFFAOYSA-N
MW102.13 g/mol
LogP0.63
Rot. Bonds

About 5-methyl-1,3-dioxane

5-methyl-1,3-dioxane (PubChem CID 12697736) has the molecular formula C5H10O2 and a molecular weight of 102.13 g/mol. Its IUPAC name is 5-methyl-1,3-dioxane.

Molecular Properties

Compound Name5-methyl-1,3-dioxane
PubChem CID12697736
Molecular FormulaC5H10O2
Molecular Weight102.13 g/mol
Exact Mass102.07
IUPAC Name5-methyl-1,3-dioxane
SMILESCC1COCOC1
InChIInChI=1S/C5H10O2/c1-5-2-6-4-7-3-5/h5H,2-4H2,1H3
InChIKeyQJQAWQSNMXLUDF-UHFFFAOYSA-N
XLogP0.63
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500102.13
LogP ≤ 50.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-1,3-dioxane?
The IUPAC name of 5-methyl-1,3-dioxane (CID 12697736) is 5-methyl-1,3-dioxane.
What is the SMILES notation for 5-methyl-1,3-dioxane?
The canonical SMILES for 5-methyl-1,3-dioxane is CC1COCOC1.
What is the InChIKey of 5-methyl-1,3-dioxane?
The InChIKey is QJQAWQSNMXLUDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10O2/c1-5-2-6-4-7-3-5/h5H,2-4H2,1H3.
What are the key properties of 5-methyl-1,3-dioxane?
5-methyl-1,3-dioxane has a molecular weight of 102.13 g/mol, XLogP of 0.63, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-1,3-dioxane is sourced from PubChem (CID 12697736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).