1,4-dioxane;2-hydroxyacetic acid

C6H12O5 — CID 66633083

IUPAC1,4-dioxane;2-hydroxyacetic acid
SMILESC1COCCO1.O=C(O)CO
InChIInChI=1S/C4H8O2.C2H4O3/c1-2-6-4-3-5-1;3-1-2(4)5/h1-4H2;3H,1H2,(H,4,5)
InChIKeyJRMCMOOJGUVIEB-UHFFFAOYSA-N
MW164.16 g/mol
LogP-0.90
Rot. Bonds1

About 1,4-dioxane;2-hydroxyacetic acid

1,4-dioxane;2-hydroxyacetic acid (PubChem CID 66633083) has the molecular formula C6H12O5 and a molecular weight of 164.16 g/mol. Its IUPAC name is 1,4-dioxane;2-hydroxyacetic acid.

Molecular Properties

Compound Name1,4-dioxane;2-hydroxyacetic acid
PubChem CID66633083
Molecular FormulaC6H12O5
Molecular Weight164.16 g/mol
Exact Mass164.07
IUPAC Name1,4-dioxane;2-hydroxyacetic acid
SMILESC1COCCO1.O=C(O)CO
InChIInChI=1S/C4H8O2.C2H4O3/c1-2-6-4-3-5-1;3-1-2(4)5/h1-4H2;3H,1H2,(H,4,5)
InChIKeyJRMCMOOJGUVIEB-UHFFFAOYSA-N
XLogP-0.90
TPSA75.99 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.16
LogP ≤ 5-0.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1,4-dioxane;2-hydroxyacetic acid?
The IUPAC name of 1,4-dioxane;2-hydroxyacetic acid (CID 66633083) is 1,4-dioxane;2-hydroxyacetic acid.
What is the SMILES notation for 1,4-dioxane;2-hydroxyacetic acid?
The canonical SMILES for 1,4-dioxane;2-hydroxyacetic acid is C1COCCO1.O=C(O)CO.
What is the InChIKey of 1,4-dioxane;2-hydroxyacetic acid?
The InChIKey is JRMCMOOJGUVIEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H8O2.C2H4O3/c1-2-6-4-3-5-1;3-1-2(4)5/h1-4H2;3H,1H2,(H,4,5).
What are the key properties of 1,4-dioxane;2-hydroxyacetic acid?
1,4-dioxane;2-hydroxyacetic acid has a molecular weight of 164.16 g/mol, XLogP of -0.90, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4-dioxane;2-hydroxyacetic acid is sourced from PubChem (CID 66633083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).