2,4,6-tribenzyl-1,3,5-trioxane

C24H24O3 — CID 11970644

IUPAC2,4,6-tribenzyl-1,3,5-trioxane
SMILESc1ccc(CC2OC(Cc3ccccc3)OC(Cc3ccccc3)O2)cc1
InChIInChI=1S/C24H24O3/c1-4-10-19(11-5-1)16-22-25-23(17-20-12-6-2-7-13-20)27-24(26-22)18-21-14-8-3-9-15-21/h1-15,22-24H,16-18H2
InChIKeyZHTQEDBVQSVWEN-UHFFFAOYSA-N
MW360.45 g/mol
LogP4.76
Rot. Bonds6

About 2,4,6-tribenzyl-1,3,5-trioxane

2,4,6-tribenzyl-1,3,5-trioxane (PubChem CID 11970644) has the molecular formula C24H24O3 and a molecular weight of 360.45 g/mol. Its IUPAC name is 2,4,6-tribenzyl-1,3,5-trioxane.

Molecular Properties

Compound Name2,4,6-tribenzyl-1,3,5-trioxane
PubChem CID11970644
Molecular FormulaC24H24O3
Molecular Weight360.45 g/mol
Exact Mass360.17
IUPAC Name2,4,6-tribenzyl-1,3,5-trioxane
SMILESc1ccc(CC2OC(Cc3ccccc3)OC(Cc3ccccc3)O2)cc1
InChIInChI=1S/C24H24O3/c1-4-10-19(11-5-1)16-22-25-23(17-20-12-6-2-7-13-20)27-24(26-22)18-21-14-8-3-9-15-21/h1-15,22-24H,16-18H2
InChIKeyZHTQEDBVQSVWEN-UHFFFAOYSA-N
XLogP4.76
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.45
LogP ≤ 54.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2,4,6-tribenzyl-1,3,5-trioxane?
The IUPAC name of 2,4,6-tribenzyl-1,3,5-trioxane (CID 11970644) is 2,4,6-tribenzyl-1,3,5-trioxane.
What is the SMILES notation for 2,4,6-tribenzyl-1,3,5-trioxane?
The canonical SMILES for 2,4,6-tribenzyl-1,3,5-trioxane is c1ccc(CC2OC(Cc3ccccc3)OC(Cc3ccccc3)O2)cc1.
What is the InChIKey of 2,4,6-tribenzyl-1,3,5-trioxane?
The InChIKey is ZHTQEDBVQSVWEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24O3/c1-4-10-19(11-5-1)16-22-25-23(17-20-12-6-2-7-13-20)27-24(26-22)18-21-14-8-3-9-15-21/h1-15,22-24H,16-18H2.
What are the key properties of 2,4,6-tribenzyl-1,3,5-trioxane?
2,4,6-tribenzyl-1,3,5-trioxane has a molecular weight of 360.45 g/mol, XLogP of 4.76, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4,6-tribenzyl-1,3,5-trioxane is sourced from PubChem (CID 11970644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).