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

C17H18O4 — CID 25256862

IUPAC3-(4-ethylphenyl)-6-(4-methylphenyl)-1,2,4,5-tetraoxane
SMILESCCc1ccc(C2OOC(c3ccc(C)cc3)OO2)cc1
InChIInChI=1S/C17H18O4/c1-3-13-6-10-15(11-7-13)17-20-18-16(19-21-17)14-8-4-12(2)5-9-14/h4-11,16-17H,3H2,1-2H3
InChIKeyFLLUJNPTSSZDJD-UHFFFAOYSA-N
MW286.33 g/mol
LogP4.16
Rot. Bonds3

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

3-(4-ethylphenyl)-6-(4-methylphenyl)-1,2,4,5-tetraoxane (PubChem CID 25256862) has the molecular formula C17H18O4 and a molecular weight of 286.33 g/mol. Its IUPAC name is 3-(4-ethylphenyl)-6-(4-methylphenyl)-1,2,4,5-tetraoxane.

Molecular Properties

Compound Name3-(4-ethylphenyl)-6-(4-methylphenyl)-1,2,4,5-tetraoxane
PubChem CID25256862
Molecular FormulaC17H18O4
Molecular Weight286.33 g/mol
Exact Mass286.12
IUPAC Name3-(4-ethylphenyl)-6-(4-methylphenyl)-1,2,4,5-tetraoxane
SMILESCCc1ccc(C2OOC(c3ccc(C)cc3)OO2)cc1
InChIInChI=1S/C17H18O4/c1-3-13-6-10-15(11-7-13)17-20-18-16(19-21-17)14-8-4-12(2)5-9-14/h4-11,16-17H,3H2,1-2H3
InChIKeyFLLUJNPTSSZDJD-UHFFFAOYSA-N
XLogP4.16
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.33
LogP ≤ 54.16
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-ethylphenyl)-6-(4-methylphenyl)-1,2,4,5-tetraoxane?
The IUPAC name of 3-(4-ethylphenyl)-6-(4-methylphenyl)-1,2,4,5-tetraoxane (CID 25256862) is 3-(4-ethylphenyl)-6-(4-methylphenyl)-1,2,4,5-tetraoxane.
What is the SMILES notation for 3-(4-ethylphenyl)-6-(4-methylphenyl)-1,2,4,5-tetraoxane?
The canonical SMILES for 3-(4-ethylphenyl)-6-(4-methylphenyl)-1,2,4,5-tetraoxane is CCc1ccc(C2OOC(c3ccc(C)cc3)OO2)cc1.
What is the InChIKey of 3-(4-ethylphenyl)-6-(4-methylphenyl)-1,2,4,5-tetraoxane?
The InChIKey is FLLUJNPTSSZDJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18O4/c1-3-13-6-10-15(11-7-13)17-20-18-16(19-21-17)14-8-4-12(2)5-9-14/h4-11,16-17H,3H2,1-2H3.
What are the key properties of 3-(4-ethylphenyl)-6-(4-methylphenyl)-1,2,4,5-tetraoxane?
3-(4-ethylphenyl)-6-(4-methylphenyl)-1,2,4,5-tetraoxane has a molecular weight of 286.33 g/mol, XLogP of 4.16, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-ethylphenyl)-6-(4-methylphenyl)-1,2,4,5-tetraoxane is sourced from PubChem (CID 25256862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).