[2-(2-methylprop-2-enoyloxy)oxiran-2-yl]methyl 2-methylprop-2-enoate

C11H14O5 — CID 141141914

IUPAC[2-(2-methylprop-2-enoyloxy)oxiran-2-yl]methyl 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OCC1(OC(=O)C(=C)C)CO1
InChIInChI=1S/C11H14O5/c1-7(2)9(12)14-5-11(6-15-11)16-10(13)8(3)4/h1,3,5-6H2,2,4H3
InChIKeyKQWOJSAGLGJRFG-UHFFFAOYSA-N
MW226.23 g/mol
LogP0.95
Rot. Bonds5

About [2-(2-methylprop-2-enoyloxy)oxiran-2-yl]methyl 2-methylprop-2-enoate

[2-(2-methylprop-2-enoyloxy)oxiran-2-yl]methyl 2-methylprop-2-enoate (PubChem CID 141141914) has the molecular formula C11H14O5 and a molecular weight of 226.23 g/mol. Its IUPAC name is [2-(2-methylprop-2-enoyloxy)oxiran-2-yl]methyl 2-methylprop-2-enoate.

Molecular Properties

Compound Name[2-(2-methylprop-2-enoyloxy)oxiran-2-yl]methyl 2-methylprop-2-enoate
PubChem CID141141914
Molecular FormulaC11H14O5
Molecular Weight226.23 g/mol
Exact Mass226.08
IUPAC Name[2-(2-methylprop-2-enoyloxy)oxiran-2-yl]methyl 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OCC1(OC(=O)C(=C)C)CO1
InChIInChI=1S/C11H14O5/c1-7(2)9(12)14-5-11(6-15-11)16-10(13)8(3)4/h1,3,5-6H2,2,4H3
InChIKeyKQWOJSAGLGJRFG-UHFFFAOYSA-N
XLogP0.95
TPSA65.13 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.23
LogP ≤ 50.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

(2-prop-2-enoyloxyoxiran-2-yl)methyl 2-methylprop-2-enoate
CID 141129170
[2-(2-methyloxiran-2-yl)oxiran-2-yl]methyl 2-methylprop-2-enoate
CID 141396871
[2-(propanoyloxymethyl)oxolan-2-yl] 2-methylprop-2-enoate
CID 151672583
(2,2,3,4,4-pentamethyloxetan-3-yl)methyl 2-methylprop-2-enoate
CID 118494757
[3-(formyloxymethyl)oxetan-3-yl]methyl 2-methylprop-2-enoate
CID 145325243
methane;(2,2,3,4,4-pentamethyloxetan-3-yl)methyl 2-methylprop-2-enoate
CID 158025898
[3,5-bis(2-methylprop-2-enoyloxymethyl)-1-adamantyl]methyl 2-methylprop-2-enoate
CID 58325619
(3-ethyl-2-methyloxetan-3-yl) 2-methylprop-2-enoate;(3-ethyloxetan-3-yl)methyl 2-methylprop-2-enoate
CID 158356798
(4-ethyl-1-bicyclo[2.2.1]heptanyl)methyl 2-methylprop-2-enoate
CID 142040492
tris(cyclododecane);[1-(hydroxymethyl)cyclododecyl]methyl 2-methylprop-2-enoate
CID 70385774
ethyl 2-methylprop-2-enoate
CID 130475774
ethene;2-(2-methylprop-2-enoyloxy)ethyl 2-methylprop-2-enoate
CID 173009937

Frequently Asked Questions

What is the IUPAC name of [2-(2-methylprop-2-enoyloxy)oxiran-2-yl]methyl 2-methylprop-2-enoate?
The IUPAC name of [2-(2-methylprop-2-enoyloxy)oxiran-2-yl]methyl 2-methylprop-2-enoate (CID 141141914) is [2-(2-methylprop-2-enoyloxy)oxiran-2-yl]methyl 2-methylprop-2-enoate.
What is the SMILES notation for [2-(2-methylprop-2-enoyloxy)oxiran-2-yl]methyl 2-methylprop-2-enoate?
The canonical SMILES for [2-(2-methylprop-2-enoyloxy)oxiran-2-yl]methyl 2-methylprop-2-enoate is C=C(C)C(=O)OCC1(OC(=O)C(=C)C)CO1.
What is the InChIKey of [2-(2-methylprop-2-enoyloxy)oxiran-2-yl]methyl 2-methylprop-2-enoate?
The InChIKey is KQWOJSAGLGJRFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14O5/c1-7(2)9(12)14-5-11(6-15-11)16-10(13)8(3)4/h1,3,5-6H2,2,4H3.
What are the key properties of [2-(2-methylprop-2-enoyloxy)oxiran-2-yl]methyl 2-methylprop-2-enoate?
[2-(2-methylprop-2-enoyloxy)oxiran-2-yl]methyl 2-methylprop-2-enoate has a molecular weight of 226.23 g/mol, XLogP of 0.95, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2-methylprop-2-enoyloxy)oxiran-2-yl]methyl 2-methylprop-2-enoate is sourced from PubChem (CID 141141914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).