3-(hydroxymethyl)oxetan-3-ol

C4H8O3 — CID 53346593

IUPAC3-(hydroxymethyl)oxetan-3-ol
SMILESOCC1(O)COC1
InChIInChI=1S/C4H8O3/c5-1-4(6)2-7-3-4/h5-6H,1-3H2
InChIKeyTVRBHJADIOFJDI-UHFFFAOYSA-N
MW104.11 g/mol
LogP-1.26
Rot. Bonds1

About 3-(hydroxymethyl)oxetan-3-ol

3-(hydroxymethyl)oxetan-3-ol (PubChem CID 53346593) has the molecular formula C4H8O3 and a molecular weight of 104.11 g/mol. Its IUPAC name is 3-(hydroxymethyl)oxetan-3-ol.

Molecular Properties

Compound Name3-(hydroxymethyl)oxetan-3-ol
PubChem CID53346593
Molecular FormulaC4H8O3
Molecular Weight104.11 g/mol
Exact Mass104.05
IUPAC Name3-(hydroxymethyl)oxetan-3-ol
SMILESOCC1(O)COC1
InChIInChI=1S/C4H8O3/c5-1-4(6)2-7-3-4/h5-6H,1-3H2
InChIKeyTVRBHJADIOFJDI-UHFFFAOYSA-N
XLogP-1.26
TPSA49.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500104.11
LogP ≤ 5-1.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(hydroxymethyl)oxetan-3-ol?
The IUPAC name of 3-(hydroxymethyl)oxetan-3-ol (CID 53346593) is 3-(hydroxymethyl)oxetan-3-ol.
What is the SMILES notation for 3-(hydroxymethyl)oxetan-3-ol?
The canonical SMILES for 3-(hydroxymethyl)oxetan-3-ol is OCC1(O)COC1.
What is the InChIKey of 3-(hydroxymethyl)oxetan-3-ol?
The InChIKey is TVRBHJADIOFJDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H8O3/c5-1-4(6)2-7-3-4/h5-6H,1-3H2.
What are the key properties of 3-(hydroxymethyl)oxetan-3-ol?
3-(hydroxymethyl)oxetan-3-ol has a molecular weight of 104.11 g/mol, XLogP of -1.26, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(hydroxymethyl)oxetan-3-ol is sourced from PubChem (CID 53346593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).