oxetan-2-yl formate

C4H6O3 — CID 54348589

IUPACoxetan-2-yl formate
SMILESO=COC1CCO1
InChIInChI=1S/C4H6O3/c5-3-7-4-1-2-6-4/h3-4H,1-2H2
InChIKeyPDIUJXHLWJXYBW-UHFFFAOYSA-N
MW102.09 g/mol
LogP-0.09
Rot. Bonds2

About oxetan-2-yl formate

oxetan-2-yl formate (PubChem CID 54348589) has the molecular formula C4H6O3 and a molecular weight of 102.09 g/mol. Its IUPAC name is oxetan-2-yl formate.

Molecular Properties

Compound Nameoxetan-2-yl formate
PubChem CID54348589
Molecular FormulaC4H6O3
Molecular Weight102.09 g/mol
Exact Mass102.03
IUPAC Nameoxetan-2-yl formate
SMILESO=COC1CCO1
InChIInChI=1S/C4H6O3/c5-3-7-4-1-2-6-4/h3-4H,1-2H2
InChIKeyPDIUJXHLWJXYBW-UHFFFAOYSA-N
XLogP-0.09
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500102.09
LogP ≤ 5-0.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of oxetan-2-yl formate?
The IUPAC name of oxetan-2-yl formate (CID 54348589) is oxetan-2-yl formate.
What is the SMILES notation for oxetan-2-yl formate?
The canonical SMILES for oxetan-2-yl formate is O=COC1CCO1.
What is the InChIKey of oxetan-2-yl formate?
The InChIKey is PDIUJXHLWJXYBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H6O3/c5-3-7-4-1-2-6-4/h3-4H,1-2H2.
What are the key properties of oxetan-2-yl formate?
oxetan-2-yl formate has a molecular weight of 102.09 g/mol, XLogP of -0.09, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for oxetan-2-yl formate is sourced from PubChem (CID 54348589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).