1,4-dioxane-2,6-diol

C4H8O4 — CID 15582223

IUPAC1,4-dioxane-2,6-diol
SMILESOC1COCC(O)O1
InChIInChI=1S/C4H8O4/c5-3-1-7-2-4(6)8-3/h3-6H,1-2H2
InChIKeyJEGYEELCLMHWPH-UHFFFAOYSA-N
MW120.10 g/mol
LogP-1.33
Rot. Bonds

About 1,4-dioxane-2,6-diol

1,4-dioxane-2,6-diol (PubChem CID 15582223) has the molecular formula C4H8O4 and a molecular weight of 120.10 g/mol. Its IUPAC name is 1,4-dioxane-2,6-diol.

Molecular Properties

Compound Name1,4-dioxane-2,6-diol
PubChem CID15582223
Molecular FormulaC4H8O4
Molecular Weight120.10 g/mol
Exact Mass120.04
IUPAC Name1,4-dioxane-2,6-diol
SMILESOC1COCC(O)O1
InChIInChI=1S/C4H8O4/c5-3-1-7-2-4(6)8-3/h3-6H,1-2H2
InChIKeyJEGYEELCLMHWPH-UHFFFAOYSA-N
XLogP-1.33
TPSA58.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500120.10
LogP ≤ 5-1.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1,4-dioxane-2,6-diol?
The IUPAC name of 1,4-dioxane-2,6-diol (CID 15582223) is 1,4-dioxane-2,6-diol.
What is the SMILES notation for 1,4-dioxane-2,6-diol?
The canonical SMILES for 1,4-dioxane-2,6-diol is OC1COCC(O)O1.
What is the InChIKey of 1,4-dioxane-2,6-diol?
The InChIKey is JEGYEELCLMHWPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H8O4/c5-3-1-7-2-4(6)8-3/h3-6H,1-2H2.
What are the key properties of 1,4-dioxane-2,6-diol?
1,4-dioxane-2,6-diol has a molecular weight of 120.10 g/mol, XLogP of -1.33, 0 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4-dioxane-2,6-diol is sourced from PubChem (CID 15582223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).