3,6-bis(4-propan-2-ylphenyl)-1,2,4,5-tetraoxane

C20H24O4 — CID 25256859

IUPAC3,6-bis(4-propan-2-ylphenyl)-1,2,4,5-tetraoxane
SMILESCC(C)c1ccc(C2OOC(c3ccc(C(C)C)cc3)OO2)cc1
InChIInChI=1S/C20H24O4/c1-13(2)15-5-9-17(10-6-15)19-21-23-20(24-22-19)18-11-7-16(8-12-18)14(3)4/h5-14,19-20H,1-4H3
InChIKeyCURZUEQYGUCIJQ-UHFFFAOYSA-N
MW328.41 g/mol
LogP5.54
Rot. Bonds4

About 3,6-bis(4-propan-2-ylphenyl)-1,2,4,5-tetraoxane

3,6-bis(4-propan-2-ylphenyl)-1,2,4,5-tetraoxane (PubChem CID 25256859) has the molecular formula C20H24O4 and a molecular weight of 328.41 g/mol. Its IUPAC name is 3,6-bis(4-propan-2-ylphenyl)-1,2,4,5-tetraoxane.

Molecular Properties

Compound Name3,6-bis(4-propan-2-ylphenyl)-1,2,4,5-tetraoxane
PubChem CID25256859
Molecular FormulaC20H24O4
Molecular Weight328.41 g/mol
Exact Mass328.17
IUPAC Name3,6-bis(4-propan-2-ylphenyl)-1,2,4,5-tetraoxane
SMILESCC(C)c1ccc(C2OOC(c3ccc(C(C)C)cc3)OO2)cc1
InChIInChI=1S/C20H24O4/c1-13(2)15-5-9-17(10-6-15)19-21-23-20(24-22-19)18-11-7-16(8-12-18)14(3)4/h5-14,19-20H,1-4H3
InChIKeyCURZUEQYGUCIJQ-UHFFFAOYSA-N
XLogP5.54
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500328.41
LogP ≤ 55.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'peroxide', 'substructure': 'N/A'}

Analyze 3,6-bis(4-propan-2-ylphenyl)-1,2,4,5-tetraoxane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3,6-bis(4-propan-2-ylphenyl)-1,2,4,5-tetraoxane?
The IUPAC name of 3,6-bis(4-propan-2-ylphenyl)-1,2,4,5-tetraoxane (CID 25256859) is 3,6-bis(4-propan-2-ylphenyl)-1,2,4,5-tetraoxane.
What is the SMILES notation for 3,6-bis(4-propan-2-ylphenyl)-1,2,4,5-tetraoxane?
The canonical SMILES for 3,6-bis(4-propan-2-ylphenyl)-1,2,4,5-tetraoxane is CC(C)c1ccc(C2OOC(c3ccc(C(C)C)cc3)OO2)cc1.
What is the InChIKey of 3,6-bis(4-propan-2-ylphenyl)-1,2,4,5-tetraoxane?
The InChIKey is CURZUEQYGUCIJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24O4/c1-13(2)15-5-9-17(10-6-15)19-21-23-20(24-22-19)18-11-7-16(8-12-18)14(3)4/h5-14,19-20H,1-4H3.
What are the key properties of 3,6-bis(4-propan-2-ylphenyl)-1,2,4,5-tetraoxane?
3,6-bis(4-propan-2-ylphenyl)-1,2,4,5-tetraoxane has a molecular weight of 328.41 g/mol, XLogP of 5.54, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,6-bis(4-propan-2-ylphenyl)-1,2,4,5-tetraoxane is sourced from PubChem (CID 25256859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).