[3-(prop-2-enoyloxymethyl)oxetan-3-yl]methyl prop-2-enoate

C11H14O5 — CID 172769604

IUPAC[3-(prop-2-enoyloxymethyl)oxetan-3-yl]methyl prop-2-enoate
SMILESC=CC(=O)OCC1(COC(=O)C=C)COC1
InChIInChI=1S/C11H14O5/c1-3-9(12)15-7-11(5-14-6-11)8-16-10(13)4-2/h3-4H,1-2,5-8H2
InChIKeyMTUJNTLDGACRQF-UHFFFAOYSA-N
MW226.23 g/mol
LogP0.46
Rot. Bonds6

About [3-(prop-2-enoyloxymethyl)oxetan-3-yl]methyl prop-2-enoate

[3-(prop-2-enoyloxymethyl)oxetan-3-yl]methyl prop-2-enoate (PubChem CID 172769604) has the molecular formula C11H14O5 and a molecular weight of 226.23 g/mol. Its IUPAC name is [3-(prop-2-enoyloxymethyl)oxetan-3-yl]methyl prop-2-enoate.

Molecular Properties

Compound Name[3-(prop-2-enoyloxymethyl)oxetan-3-yl]methyl prop-2-enoate
PubChem CID172769604
Molecular FormulaC11H14O5
Molecular Weight226.23 g/mol
Exact Mass226.08
IUPAC Name[3-(prop-2-enoyloxymethyl)oxetan-3-yl]methyl prop-2-enoate
SMILESC=CC(=O)OCC1(COC(=O)C=C)COC1
InChIInChI=1S/C11H14O5/c1-3-9(12)15-7-11(5-14-6-11)8-16-10(13)4-2/h3-4H,1-2,5-8H2
InChIKeyMTUJNTLDGACRQF-UHFFFAOYSA-N
XLogP0.46
TPSA61.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.23
LogP ≤ 50.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze [3-(prop-2-enoyloxymethyl)oxetan-3-yl]methyl prop-2-enoate with MolForge

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

Launch Full Analysis

Related Compounds

(3-butyloxetan-3-yl)methyl prop-2-enoate
CID 23067252
2-[2-[(3-ethyloxetan-3-yl)methoxy]-2-oxoethoxy]ethyl prop-2-enoate
CID 139951419
[9-[12-[6,12-dioxo-3,3-bis(prop-2-enoyloxymethyl)-1,5-dioxa-9-azacyclododec-9-yl]dodecyl]-6,12-dioxo-3-(prop-2-enoyloxymethyl)-1,5-dioxa-9-azacyclododec-3-yl]methyl prop-2-enoate
CID 16748659
(2-phosphonooxyoxiran-2-yl)methyl prop-2-enoate
CID 156783562
(E)-4-[(3-ethyloxetan-3-yl)methoxy]-4-oxobut-2-enoic acid
CID 20682759
(4-ethyl-2,6,7-trioxabicyclo[2.2.2]octan-1-yl)methyl prop-2-enoate
CID 71325039
[5-(carbamoyloxymethyl)-1,3-dioxan-5-yl]methyl carbamate
CID 110174574
[3-(formyloxymethyl)oxetan-3-yl]methyl 2-methylprop-2-enoate
CID 145325243
(4-ethenyl-2-oxo-1,3-dioxolan-4-yl)methyl prop-2-enoate
CID 70213115
(1-pentylcyclobutyl)methyl prop-2-enoate
CID 141276106
(2,3-dimethyloxetan-2-yl)methyl prop-2-enoate
CID 174904859
(5-ethyl-2-phenyl-1,3,2-dioxaborinan-5-yl)methyl prop-2-enoate
CID 153107264

Frequently Asked Questions

What is the IUPAC name of [3-(prop-2-enoyloxymethyl)oxetan-3-yl]methyl prop-2-enoate?
The IUPAC name of [3-(prop-2-enoyloxymethyl)oxetan-3-yl]methyl prop-2-enoate (CID 172769604) is [3-(prop-2-enoyloxymethyl)oxetan-3-yl]methyl prop-2-enoate.
What is the SMILES notation for [3-(prop-2-enoyloxymethyl)oxetan-3-yl]methyl prop-2-enoate?
The canonical SMILES for [3-(prop-2-enoyloxymethyl)oxetan-3-yl]methyl prop-2-enoate is C=CC(=O)OCC1(COC(=O)C=C)COC1.
What is the InChIKey of [3-(prop-2-enoyloxymethyl)oxetan-3-yl]methyl prop-2-enoate?
The InChIKey is MTUJNTLDGACRQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14O5/c1-3-9(12)15-7-11(5-14-6-11)8-16-10(13)4-2/h3-4H,1-2,5-8H2.
What are the key properties of [3-(prop-2-enoyloxymethyl)oxetan-3-yl]methyl prop-2-enoate?
[3-(prop-2-enoyloxymethyl)oxetan-3-yl]methyl prop-2-enoate has a molecular weight of 226.23 g/mol, XLogP of 0.46, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(prop-2-enoyloxymethyl)oxetan-3-yl]methyl prop-2-enoate is sourced from PubChem (CID 172769604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).