oxetan-2-yl prop-2-enoate

C6H8O3 — CID 23067278

IUPACoxetan-2-yl prop-2-enoate
SMILESC=CC(=O)OC1CCO1
InChIInChI=1S/C6H8O3/c1-2-5(7)9-6-3-4-8-6/h2,6H,1,3-4H2
InChIKeyFJAAOMWUWOTVHA-UHFFFAOYSA-N
MW128.13 g/mol
LogP0.46
Rot. Bonds2

About oxetan-2-yl prop-2-enoate

oxetan-2-yl prop-2-enoate (PubChem CID 23067278) has the molecular formula C6H8O3 and a molecular weight of 128.13 g/mol. Its IUPAC name is oxetan-2-yl prop-2-enoate.

Molecular Properties

Compound Nameoxetan-2-yl prop-2-enoate
PubChem CID23067278
Molecular FormulaC6H8O3
Molecular Weight128.13 g/mol
Exact Mass128.05
IUPAC Nameoxetan-2-yl prop-2-enoate
SMILESC=CC(=O)OC1CCO1
InChIInChI=1S/C6H8O3/c1-2-5(7)9-6-3-4-8-6/h2,6H,1,3-4H2
InChIKeyFJAAOMWUWOTVHA-UHFFFAOYSA-N
XLogP0.46
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500128.13
LogP ≤ 50.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of oxetan-2-yl prop-2-enoate?
The IUPAC name of oxetan-2-yl prop-2-enoate (CID 23067278) is oxetan-2-yl prop-2-enoate.
What is the SMILES notation for oxetan-2-yl prop-2-enoate?
The canonical SMILES for oxetan-2-yl prop-2-enoate is C=CC(=O)OC1CCO1.
What is the InChIKey of oxetan-2-yl prop-2-enoate?
The InChIKey is FJAAOMWUWOTVHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8O3/c1-2-5(7)9-6-3-4-8-6/h2,6H,1,3-4H2.
What are the key properties of oxetan-2-yl prop-2-enoate?
oxetan-2-yl prop-2-enoate has a molecular weight of 128.13 g/mol, XLogP of 0.46, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for oxetan-2-yl prop-2-enoate is sourced from PubChem (CID 23067278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).