oxetane-2,4-diol

C3H6O3 — CID 20682895

IUPACoxetane-2,4-diol
SMILESOC1CC(O)O1
InChIInChI=1S/C3H6O3/c4-2-1-3(5)6-2/h2-5H,1H2
InChIKeyLMZBGVBKISSTKO-UHFFFAOYSA-N
MW90.08 g/mol
LogP-0.96
Rot. Bonds

About oxetane-2,4-diol

oxetane-2,4-diol (PubChem CID 20682895) has the molecular formula C3H6O3 and a molecular weight of 90.08 g/mol. Its IUPAC name is oxetane-2,4-diol.

Molecular Properties

Compound Nameoxetane-2,4-diol
PubChem CID20682895
Molecular FormulaC3H6O3
Molecular Weight90.08 g/mol
Exact Mass90.03
IUPAC Nameoxetane-2,4-diol
SMILESOC1CC(O)O1
InChIInChI=1S/C3H6O3/c4-2-1-3(5)6-2/h2-5H,1H2
InChIKeyLMZBGVBKISSTKO-UHFFFAOYSA-N
XLogP-0.96
TPSA49.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50090.08
LogP ≤ 5-0.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze oxetane-2,4-diol 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 oxetane-2,4-diol?
The IUPAC name of oxetane-2,4-diol (CID 20682895) is oxetane-2,4-diol.
What is the SMILES notation for oxetane-2,4-diol?
The canonical SMILES for oxetane-2,4-diol is OC1CC(O)O1.
What is the InChIKey of oxetane-2,4-diol?
The InChIKey is LMZBGVBKISSTKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H6O3/c4-2-1-3(5)6-2/h2-5H,1H2.
What are the key properties of oxetane-2,4-diol?
oxetane-2,4-diol has a molecular weight of 90.08 g/mol, XLogP of -0.96, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for oxetane-2,4-diol is sourced from PubChem (CID 20682895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).