2,2-dibenzyl-1,4-dioxane

C18H20O2 — CID 57195201

IUPAC2,2-dibenzyl-1,4-dioxane
SMILESc1ccc(CC2(Cc3ccccc3)COCCO2)cc1
InChIInChI=1S/C18H20O2/c1-3-7-16(8-4-1)13-18(15-19-11-12-20-18)14-17-9-5-2-6-10-17/h1-10H,11-15H2
InChIKeyWMZZVVAFMFWFBA-UHFFFAOYSA-N
MW268.36 g/mol
LogP3.26
Rot. Bonds4

About 2,2-dibenzyl-1,4-dioxane

2,2-dibenzyl-1,4-dioxane (PubChem CID 57195201) has the molecular formula C18H20O2 and a molecular weight of 268.36 g/mol. Its IUPAC name is 2,2-dibenzyl-1,4-dioxane.

Molecular Properties

Compound Name2,2-dibenzyl-1,4-dioxane
PubChem CID57195201
Molecular FormulaC18H20O2
Molecular Weight268.36 g/mol
Exact Mass268.15
IUPAC Name2,2-dibenzyl-1,4-dioxane
SMILESc1ccc(CC2(Cc3ccccc3)COCCO2)cc1
InChIInChI=1S/C18H20O2/c1-3-7-16(8-4-1)13-18(15-19-11-12-20-18)14-17-9-5-2-6-10-17/h1-10H,11-15H2
InChIKeyWMZZVVAFMFWFBA-UHFFFAOYSA-N
XLogP3.26
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.36
LogP ≤ 53.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,2-dibenzyl-1,4-dioxane?
The IUPAC name of 2,2-dibenzyl-1,4-dioxane (CID 57195201) is 2,2-dibenzyl-1,4-dioxane.
What is the SMILES notation for 2,2-dibenzyl-1,4-dioxane?
The canonical SMILES for 2,2-dibenzyl-1,4-dioxane is c1ccc(CC2(Cc3ccccc3)COCCO2)cc1.
What is the InChIKey of 2,2-dibenzyl-1,4-dioxane?
The InChIKey is WMZZVVAFMFWFBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20O2/c1-3-7-16(8-4-1)13-18(15-19-11-12-20-18)14-17-9-5-2-6-10-17/h1-10H,11-15H2.
What are the key properties of 2,2-dibenzyl-1,4-dioxane?
2,2-dibenzyl-1,4-dioxane has a molecular weight of 268.36 g/mol, XLogP of 3.26, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dibenzyl-1,4-dioxane is sourced from PubChem (CID 57195201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).