4-hydroxy-1,3-dioxan-2-one

C4H6O4 — CID 14151263

IUPAC4-hydroxy-1,3-dioxan-2-one
SMILESO=C1OCCC(O)O1
InChIInChI=1S/C4H6O4/c5-3-1-2-7-4(6)8-3/h3,5H,1-2H2
InChIKeySFUJFSPYIQTVGJ-UHFFFAOYSA-N
MW118.09 g/mol
LogP-0.14
Rot. Bonds

About 4-hydroxy-1,3-dioxan-2-one

4-hydroxy-1,3-dioxan-2-one (PubChem CID 14151263) has the molecular formula C4H6O4 and a molecular weight of 118.09 g/mol. Its IUPAC name is 4-hydroxy-1,3-dioxan-2-one.

Molecular Properties

Compound Name4-hydroxy-1,3-dioxan-2-one
PubChem CID14151263
Molecular FormulaC4H6O4
Molecular Weight118.09 g/mol
Exact Mass118.03
IUPAC Name4-hydroxy-1,3-dioxan-2-one
SMILESO=C1OCCC(O)O1
InChIInChI=1S/C4H6O4/c5-3-1-2-7-4(6)8-3/h3,5H,1-2H2
InChIKeySFUJFSPYIQTVGJ-UHFFFAOYSA-N
XLogP-0.14
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500118.09
LogP ≤ 5-0.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 4-hydroxy-1,3-dioxan-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-1,3-dioxan-2-one?
The IUPAC name of 4-hydroxy-1,3-dioxan-2-one (CID 14151263) is 4-hydroxy-1,3-dioxan-2-one.
What is the SMILES notation for 4-hydroxy-1,3-dioxan-2-one?
The canonical SMILES for 4-hydroxy-1,3-dioxan-2-one is O=C1OCCC(O)O1.
What is the InChIKey of 4-hydroxy-1,3-dioxan-2-one?
The InChIKey is SFUJFSPYIQTVGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H6O4/c5-3-1-2-7-4(6)8-3/h3,5H,1-2H2.
What are the key properties of 4-hydroxy-1,3-dioxan-2-one?
4-hydroxy-1,3-dioxan-2-one has a molecular weight of 118.09 g/mol, XLogP of -0.14, 0 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-1,3-dioxan-2-one is sourced from PubChem (CID 14151263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).