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

C17H18O4 — CID 45273316

IUPAC3-(4-ethylphenyl)-6-(3-methylphenyl)-1,2,4,5-tetraoxane
SMILESCCc1ccc(C2OOC(c3cccc(C)c3)OO2)cc1
InChIInChI=1S/C17H18O4/c1-3-13-7-9-14(10-8-13)16-18-20-17(21-19-16)15-6-4-5-12(2)11-15/h4-11,16-17H,3H2,1-2H3
InChIKeyCHUNWIVYYNFJGE-UHFFFAOYSA-N
MW286.33 g/mol
LogP4.16
Rot. Bonds3

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

3-(4-ethylphenyl)-6-(3-methylphenyl)-1,2,4,5-tetraoxane (PubChem CID 45273316) has the molecular formula C17H18O4 and a molecular weight of 286.33 g/mol. Its IUPAC name is 3-(4-ethylphenyl)-6-(3-methylphenyl)-1,2,4,5-tetraoxane.

Molecular Properties

Compound Name3-(4-ethylphenyl)-6-(3-methylphenyl)-1,2,4,5-tetraoxane
PubChem CID45273316
Molecular FormulaC17H18O4
Molecular Weight286.33 g/mol
Exact Mass286.12
IUPAC Name3-(4-ethylphenyl)-6-(3-methylphenyl)-1,2,4,5-tetraoxane
SMILESCCc1ccc(C2OOC(c3cccc(C)c3)OO2)cc1
InChIInChI=1S/C17H18O4/c1-3-13-7-9-14(10-8-13)16-18-20-17(21-19-16)15-6-4-5-12(2)11-15/h4-11,16-17H,3H2,1-2H3
InChIKeyCHUNWIVYYNFJGE-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-(3-methylphenyl)-1,2,4,5-tetraoxane?
The IUPAC name of 3-(4-ethylphenyl)-6-(3-methylphenyl)-1,2,4,5-tetraoxane (CID 45273316) is 3-(4-ethylphenyl)-6-(3-methylphenyl)-1,2,4,5-tetraoxane.
What is the SMILES notation for 3-(4-ethylphenyl)-6-(3-methylphenyl)-1,2,4,5-tetraoxane?
The canonical SMILES for 3-(4-ethylphenyl)-6-(3-methylphenyl)-1,2,4,5-tetraoxane is CCc1ccc(C2OOC(c3cccc(C)c3)OO2)cc1.
What is the InChIKey of 3-(4-ethylphenyl)-6-(3-methylphenyl)-1,2,4,5-tetraoxane?
The InChIKey is CHUNWIVYYNFJGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18O4/c1-3-13-7-9-14(10-8-13)16-18-20-17(21-19-16)15-6-4-5-12(2)11-15/h4-11,16-17H,3H2,1-2H3.
What are the key properties of 3-(4-ethylphenyl)-6-(3-methylphenyl)-1,2,4,5-tetraoxane?
3-(4-ethylphenyl)-6-(3-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-(3-methylphenyl)-1,2,4,5-tetraoxane is sourced from PubChem (CID 45273316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).