1,4-dioxane;2-[(2-methylpropan-2-yl)oxy]ethanol

C10H22O4 — CID 68830472

IUPAC1,4-dioxane;2-[(2-methylpropan-2-yl)oxy]ethanol
SMILESC1COCCO1.CC(C)(C)OCCO
InChIInChI=1S/C6H14O2.C4H8O2/c1-6(2,3)8-5-4-7;1-2-6-4-3-5-1/h7H,4-5H2,1-3H3;1-4H2
InChIKeyWEZUFTWIJJIRFA-UHFFFAOYSA-N
MW206.28 g/mol
LogP0.83
Rot. Bonds2

About 1,4-dioxane;2-[(2-methylpropan-2-yl)oxy]ethanol

1,4-dioxane;2-[(2-methylpropan-2-yl)oxy]ethanol (PubChem CID 68830472) has the molecular formula C10H22O4 and a molecular weight of 206.28 g/mol. Its IUPAC name is 1,4-dioxane;2-[(2-methylpropan-2-yl)oxy]ethanol.

Molecular Properties

Compound Name1,4-dioxane;2-[(2-methylpropan-2-yl)oxy]ethanol
PubChem CID68830472
Molecular FormulaC10H22O4
Molecular Weight206.28 g/mol
Exact Mass206.15
IUPAC Name1,4-dioxane;2-[(2-methylpropan-2-yl)oxy]ethanol
SMILESC1COCCO1.CC(C)(C)OCCO
InChIInChI=1S/C6H14O2.C4H8O2/c1-6(2,3)8-5-4-7;1-2-6-4-3-5-1/h7H,4-5H2,1-3H3;1-4H2
InChIKeyWEZUFTWIJJIRFA-UHFFFAOYSA-N
XLogP0.83
TPSA47.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.28
LogP ≤ 50.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1,4-dioxane;2-[(2-methylpropan-2-yl)oxy]ethanol?
The IUPAC name of 1,4-dioxane;2-[(2-methylpropan-2-yl)oxy]ethanol (CID 68830472) is 1,4-dioxane;2-[(2-methylpropan-2-yl)oxy]ethanol.
What is the SMILES notation for 1,4-dioxane;2-[(2-methylpropan-2-yl)oxy]ethanol?
The canonical SMILES for 1,4-dioxane;2-[(2-methylpropan-2-yl)oxy]ethanol is C1COCCO1.CC(C)(C)OCCO.
What is the InChIKey of 1,4-dioxane;2-[(2-methylpropan-2-yl)oxy]ethanol?
The InChIKey is WEZUFTWIJJIRFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H14O2.C4H8O2/c1-6(2,3)8-5-4-7;1-2-6-4-3-5-1/h7H,4-5H2,1-3H3;1-4H2.
What are the key properties of 1,4-dioxane;2-[(2-methylpropan-2-yl)oxy]ethanol?
1,4-dioxane;2-[(2-methylpropan-2-yl)oxy]ethanol has a molecular weight of 206.28 g/mol, XLogP of 0.83, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4-dioxane;2-[(2-methylpropan-2-yl)oxy]ethanol is sourced from PubChem (CID 68830472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).