(2R,5R)-1,4-dioxane-2,5-diol

C4H8O4 — CID 7269377

IUPAC(2R,5R)-1,4-dioxane-2,5-diol
SMILESO[C@H]1CO[C@@H](O)CO1
InChIInChI=1S/C4H8O4/c5-3-1-7-4(6)2-8-3/h3-6H,1-2H2/t3-,4-/m1/s1
InChIKeyATFVTAOSZBVGHC-QWWZWVQMSA-N
MW120.10 g/mol
LogP-1.33
Rot. Bonds

About (2R,5R)-1,4-dioxane-2,5-diol

(2R,5R)-1,4-dioxane-2,5-diol (PubChem CID 7269377) has the molecular formula C4H8O4 and a molecular weight of 120.10 g/mol. Its IUPAC name is (2R,5R)-1,4-dioxane-2,5-diol.

Molecular Properties

Compound Name(2R,5R)-1,4-dioxane-2,5-diol
PubChem CID7269377
Molecular FormulaC4H8O4
Molecular Weight120.10 g/mol
Exact Mass120.04
IUPAC Name(2R,5R)-1,4-dioxane-2,5-diol
SMILESO[C@H]1CO[C@@H](O)CO1
InChIInChI=1S/C4H8O4/c5-3-1-7-4(6)2-8-3/h3-6H,1-2H2/t3-,4-/m1/s1
InChIKeyATFVTAOSZBVGHC-QWWZWVQMSA-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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Related Compounds

(4S)-oxolane-2,4-diol
CID 16655459
oxane-2,5-diol
CID 14502564
(2S,4S,5S)-oxane-2,4,5-triol
CID 11859680
4-methyloxolan-2-ol
CID 11007834
(2S,5S,6S)-5,6-dimethyl-1,4-dioxan-2-ol
CID 124635550
(5R)-5-methyloxan-2-ol
CID 159421753
oxetan-2-ol
CID 175273147
5-methylmorpholin-2-ol
CID 105427098
(2S)-2-ethyl-1,3-dioxolan-4-ol
CID 59048685
3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]dioxin-3-ol
CID 58183696
2-cyclopentyl-1,3-dioxolan-4-ol
CID 67076221
(3aR,6aS)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3,6-diol
CID 129010301

Frequently Asked Questions

What is the IUPAC name of (2R,5R)-1,4-dioxane-2,5-diol?
The IUPAC name of (2R,5R)-1,4-dioxane-2,5-diol (CID 7269377) is (2R,5R)-1,4-dioxane-2,5-diol.
What is the SMILES notation for (2R,5R)-1,4-dioxane-2,5-diol?
The canonical SMILES for (2R,5R)-1,4-dioxane-2,5-diol is O[C@H]1CO[C@@H](O)CO1.
What is the InChIKey of (2R,5R)-1,4-dioxane-2,5-diol?
The InChIKey is ATFVTAOSZBVGHC-QWWZWVQMSA-N. The full InChI is InChI=1S/C4H8O4/c5-3-1-7-4(6)2-8-3/h3-6H,1-2H2/t3-,4-/m1/s1.
What are the key properties of (2R,5R)-1,4-dioxane-2,5-diol?
(2R,5R)-1,4-dioxane-2,5-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 (2R,5R)-1,4-dioxane-2,5-diol is sourced from PubChem (CID 7269377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).