2,3-bis(4-tert-butylphenoxy)-1,4-dioxane

C24H32O4 — CID 3315925

IUPAC2,3-bis(4-tert-butylphenoxy)-1,4-dioxane
SMILESCC(C)(C)c1ccc(OC2OCCOC2Oc2ccc(C(C)(C)C)cc2)cc1
InChIInChI=1S/C24H32O4/c1-23(2,3)17-7-11-19(12-8-17)27-21-22(26-16-15-25-21)28-20-13-9-18(10-14-20)24(4,5)6/h7-14,21-22H,15-16H2,1-6H3
InChIKeyGUEXKVFYSVHIBJ-UHFFFAOYSA-N
MW384.52 g/mol
LogP5.44
Rot. Bonds4

About 2,3-bis(4-tert-butylphenoxy)-1,4-dioxane

2,3-bis(4-tert-butylphenoxy)-1,4-dioxane (PubChem CID 3315925) has the molecular formula C24H32O4 and a molecular weight of 384.52 g/mol. Its IUPAC name is 2,3-bis(4-tert-butylphenoxy)-1,4-dioxane.

Molecular Properties

Compound Name2,3-bis(4-tert-butylphenoxy)-1,4-dioxane
PubChem CID3315925
Molecular FormulaC24H32O4
Molecular Weight384.52 g/mol
Exact Mass384.23
IUPAC Name2,3-bis(4-tert-butylphenoxy)-1,4-dioxane
SMILESCC(C)(C)c1ccc(OC2OCCOC2Oc2ccc(C(C)(C)C)cc2)cc1
InChIInChI=1S/C24H32O4/c1-23(2,3)17-7-11-19(12-8-17)27-21-22(26-16-15-25-21)28-20-13-9-18(10-14-20)24(4,5)6/h7-14,21-22H,15-16H2,1-6H3
InChIKeyGUEXKVFYSVHIBJ-UHFFFAOYSA-N
XLogP5.44
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500384.52
LogP ≤ 55.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2,3-bis(4-tert-butylphenoxy)-1,4-dioxane?
The IUPAC name of 2,3-bis(4-tert-butylphenoxy)-1,4-dioxane (CID 3315925) is 2,3-bis(4-tert-butylphenoxy)-1,4-dioxane.
What is the SMILES notation for 2,3-bis(4-tert-butylphenoxy)-1,4-dioxane?
The canonical SMILES for 2,3-bis(4-tert-butylphenoxy)-1,4-dioxane is CC(C)(C)c1ccc(OC2OCCOC2Oc2ccc(C(C)(C)C)cc2)cc1.
What is the InChIKey of 2,3-bis(4-tert-butylphenoxy)-1,4-dioxane?
The InChIKey is GUEXKVFYSVHIBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H32O4/c1-23(2,3)17-7-11-19(12-8-17)27-21-22(26-16-15-25-21)28-20-13-9-18(10-14-20)24(4,5)6/h7-14,21-22H,15-16H2,1-6H3.
What are the key properties of 2,3-bis(4-tert-butylphenoxy)-1,4-dioxane?
2,3-bis(4-tert-butylphenoxy)-1,4-dioxane has a molecular weight of 384.52 g/mol, XLogP of 5.44, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-bis(4-tert-butylphenoxy)-1,4-dioxane is sourced from PubChem (CID 3315925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).