2-benzyl-1,4-dioxane

C11H14O2 — CID 12910406

IUPAC2-benzyl-1,4-dioxane
SMILESc1ccc(CC2COCCO2)cc1
InChIInChI=1S/C11H14O2/c1-2-4-10(5-3-1)8-11-9-12-6-7-13-11/h1-5,11H,6-9H2
InChIKeyASFXYZUOJIMOGD-UHFFFAOYSA-N
MW178.23 g/mol
LogP1.64
Rot. Bonds2

About 2-benzyl-1,4-dioxane

2-benzyl-1,4-dioxane (PubChem CID 12910406) has the molecular formula C11H14O2 and a molecular weight of 178.23 g/mol. Its IUPAC name is 2-benzyl-1,4-dioxane.

Molecular Properties

Compound Name2-benzyl-1,4-dioxane
PubChem CID12910406
Molecular FormulaC11H14O2
Molecular Weight178.23 g/mol
Exact Mass178.10
IUPAC Name2-benzyl-1,4-dioxane
SMILESc1ccc(CC2COCCO2)cc1
InChIInChI=1S/C11H14O2/c1-2-4-10(5-3-1)8-11-9-12-6-7-13-11/h1-5,11H,6-9H2
InChIKeyASFXYZUOJIMOGD-UHFFFAOYSA-N
XLogP1.64
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.23
LogP ≤ 51.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-benzyl-1,4-dioxane?
The IUPAC name of 2-benzyl-1,4-dioxane (CID 12910406) is 2-benzyl-1,4-dioxane.
What is the SMILES notation for 2-benzyl-1,4-dioxane?
The canonical SMILES for 2-benzyl-1,4-dioxane is c1ccc(CC2COCCO2)cc1.
What is the InChIKey of 2-benzyl-1,4-dioxane?
The InChIKey is ASFXYZUOJIMOGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14O2/c1-2-4-10(5-3-1)8-11-9-12-6-7-13-11/h1-5,11H,6-9H2.
What are the key properties of 2-benzyl-1,4-dioxane?
2-benzyl-1,4-dioxane has a molecular weight of 178.23 g/mol, XLogP of 1.64, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzyl-1,4-dioxane is sourced from PubChem (CID 12910406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).