3-(4-tert-butylphenyl)-6-(4-methylphenyl)-1,2,4,5-tetraoxane

C19H22O4 — CID 25256864

IUPAC3-(4-tert-butylphenyl)-6-(4-methylphenyl)-1,2,4,5-tetraoxane
SMILESCc1ccc(C2OOC(c3ccc(C(C)(C)C)cc3)OO2)cc1
InChIInChI=1S/C19H22O4/c1-13-5-7-14(8-6-13)17-20-22-18(23-21-17)15-9-11-16(12-10-15)19(2,3)4/h5-12,17-18H,1-4H3
InChIKeyWSGJGICKFCLFNV-UHFFFAOYSA-N
MW314.38 g/mol
LogP4.90
Rot. Bonds2

About 3-(4-tert-butylphenyl)-6-(4-methylphenyl)-1,2,4,5-tetraoxane

3-(4-tert-butylphenyl)-6-(4-methylphenyl)-1,2,4,5-tetraoxane (PubChem CID 25256864) has the molecular formula C19H22O4 and a molecular weight of 314.38 g/mol. Its IUPAC name is 3-(4-tert-butylphenyl)-6-(4-methylphenyl)-1,2,4,5-tetraoxane.

Molecular Properties

Compound Name3-(4-tert-butylphenyl)-6-(4-methylphenyl)-1,2,4,5-tetraoxane
PubChem CID25256864
Molecular FormulaC19H22O4
Molecular Weight314.38 g/mol
Exact Mass314.15
IUPAC Name3-(4-tert-butylphenyl)-6-(4-methylphenyl)-1,2,4,5-tetraoxane
SMILESCc1ccc(C2OOC(c3ccc(C(C)(C)C)cc3)OO2)cc1
InChIInChI=1S/C19H22O4/c1-13-5-7-14(8-6-13)17-20-22-18(23-21-17)15-9-11-16(12-10-15)19(2,3)4/h5-12,17-18H,1-4H3
InChIKeyWSGJGICKFCLFNV-UHFFFAOYSA-N
XLogP4.90
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.38
LogP ≤ 54.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-(4-tert-butylphenyl)-6-(4-methylphenyl)-1,2,4,5-tetraoxane?
The IUPAC name of 3-(4-tert-butylphenyl)-6-(4-methylphenyl)-1,2,4,5-tetraoxane (CID 25256864) is 3-(4-tert-butylphenyl)-6-(4-methylphenyl)-1,2,4,5-tetraoxane.
What is the SMILES notation for 3-(4-tert-butylphenyl)-6-(4-methylphenyl)-1,2,4,5-tetraoxane?
The canonical SMILES for 3-(4-tert-butylphenyl)-6-(4-methylphenyl)-1,2,4,5-tetraoxane is Cc1ccc(C2OOC(c3ccc(C(C)(C)C)cc3)OO2)cc1.
What is the InChIKey of 3-(4-tert-butylphenyl)-6-(4-methylphenyl)-1,2,4,5-tetraoxane?
The InChIKey is WSGJGICKFCLFNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22O4/c1-13-5-7-14(8-6-13)17-20-22-18(23-21-17)15-9-11-16(12-10-15)19(2,3)4/h5-12,17-18H,1-4H3.
What are the key properties of 3-(4-tert-butylphenyl)-6-(4-methylphenyl)-1,2,4,5-tetraoxane?
3-(4-tert-butylphenyl)-6-(4-methylphenyl)-1,2,4,5-tetraoxane has a molecular weight of 314.38 g/mol, XLogP of 4.90, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-tert-butylphenyl)-6-(4-methylphenyl)-1,2,4,5-tetraoxane is sourced from PubChem (CID 25256864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).