5-benzyl-2-ethyl-2-methyl-1,4-dioxane

C14H20O2 — CID 12060762

IUPAC5-benzyl-2-ethyl-2-methyl-1,4-dioxane
SMILESCCC1(C)COC(Cc2ccccc2)CO1
InChIInChI=1S/C14H20O2/c1-3-14(2)11-15-13(10-16-14)9-12-7-5-4-6-8-12/h4-8,13H,3,9-11H2,1-2H3
InChIKeyHLSZESULPXAFLP-UHFFFAOYSA-N
MW220.31 g/mol
LogP2.81
Rot. Bonds3

About 5-benzyl-2-ethyl-2-methyl-1,4-dioxane

5-benzyl-2-ethyl-2-methyl-1,4-dioxane (PubChem CID 12060762) has the molecular formula C14H20O2 and a molecular weight of 220.31 g/mol. Its IUPAC name is 5-benzyl-2-ethyl-2-methyl-1,4-dioxane.

Molecular Properties

Compound Name5-benzyl-2-ethyl-2-methyl-1,4-dioxane
PubChem CID12060762
Molecular FormulaC14H20O2
Molecular Weight220.31 g/mol
Exact Mass220.15
IUPAC Name5-benzyl-2-ethyl-2-methyl-1,4-dioxane
SMILESCCC1(C)COC(Cc2ccccc2)CO1
InChIInChI=1S/C14H20O2/c1-3-14(2)11-15-13(10-16-14)9-12-7-5-4-6-8-12/h4-8,13H,3,9-11H2,1-2H3
InChIKeyHLSZESULPXAFLP-UHFFFAOYSA-N
XLogP2.81
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.31
LogP ≤ 52.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-benzyl-2-ethyl-2-methyl-1,4-dioxane?
The IUPAC name of 5-benzyl-2-ethyl-2-methyl-1,4-dioxane (CID 12060762) is 5-benzyl-2-ethyl-2-methyl-1,4-dioxane.
What is the SMILES notation for 5-benzyl-2-ethyl-2-methyl-1,4-dioxane?
The canonical SMILES for 5-benzyl-2-ethyl-2-methyl-1,4-dioxane is CCC1(C)COC(Cc2ccccc2)CO1.
What is the InChIKey of 5-benzyl-2-ethyl-2-methyl-1,4-dioxane?
The InChIKey is HLSZESULPXAFLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20O2/c1-3-14(2)11-15-13(10-16-14)9-12-7-5-4-6-8-12/h4-8,13H,3,9-11H2,1-2H3.
What are the key properties of 5-benzyl-2-ethyl-2-methyl-1,4-dioxane?
5-benzyl-2-ethyl-2-methyl-1,4-dioxane has a molecular weight of 220.31 g/mol, XLogP of 2.81, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-benzyl-2-ethyl-2-methyl-1,4-dioxane is sourced from PubChem (CID 12060762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).