2,5-bis[(2-methylpropan-2-yl)oxy]-1,4-dioxane

C12H24O4 — CID 71332367

IUPAC2,5-bis[(2-methylpropan-2-yl)oxy]-1,4-dioxane
SMILESCC(C)(C)OC1COC(OC(C)(C)C)CO1
InChIInChI=1S/C12H24O4/c1-11(2,3)15-9-7-14-10(8-13-9)16-12(4,5)6/h9-10H,7-8H2,1-6H3
InChIKeyUCCVRTYXTIHOKL-UHFFFAOYSA-N
MW232.32 g/mol
LogP2.32
Rot. Bonds2

About 2,5-bis[(2-methylpropan-2-yl)oxy]-1,4-dioxane

2,5-bis[(2-methylpropan-2-yl)oxy]-1,4-dioxane (PubChem CID 71332367) has the molecular formula C12H24O4 and a molecular weight of 232.32 g/mol. Its IUPAC name is 2,5-bis[(2-methylpropan-2-yl)oxy]-1,4-dioxane.

Molecular Properties

Compound Name2,5-bis[(2-methylpropan-2-yl)oxy]-1,4-dioxane
PubChem CID71332367
Molecular FormulaC12H24O4
Molecular Weight232.32 g/mol
Exact Mass232.17
IUPAC Name2,5-bis[(2-methylpropan-2-yl)oxy]-1,4-dioxane
SMILESCC(C)(C)OC1COC(OC(C)(C)C)CO1
InChIInChI=1S/C12H24O4/c1-11(2,3)15-9-7-14-10(8-13-9)16-12(4,5)6/h9-10H,7-8H2,1-6H3
InChIKeyUCCVRTYXTIHOKL-UHFFFAOYSA-N
XLogP2.32
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.32
LogP ≤ 52.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2,5-bis[(2-methylpropan-2-yl)oxy]-1,4-dioxane?
The IUPAC name of 2,5-bis[(2-methylpropan-2-yl)oxy]-1,4-dioxane (CID 71332367) is 2,5-bis[(2-methylpropan-2-yl)oxy]-1,4-dioxane.
What is the SMILES notation for 2,5-bis[(2-methylpropan-2-yl)oxy]-1,4-dioxane?
The canonical SMILES for 2,5-bis[(2-methylpropan-2-yl)oxy]-1,4-dioxane is CC(C)(C)OC1COC(OC(C)(C)C)CO1.
What is the InChIKey of 2,5-bis[(2-methylpropan-2-yl)oxy]-1,4-dioxane?
The InChIKey is UCCVRTYXTIHOKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24O4/c1-11(2,3)15-9-7-14-10(8-13-9)16-12(4,5)6/h9-10H,7-8H2,1-6H3.
What are the key properties of 2,5-bis[(2-methylpropan-2-yl)oxy]-1,4-dioxane?
2,5-bis[(2-methylpropan-2-yl)oxy]-1,4-dioxane has a molecular weight of 232.32 g/mol, XLogP of 2.32, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-bis[(2-methylpropan-2-yl)oxy]-1,4-dioxane is sourced from PubChem (CID 71332367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).