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

C10H14O4 — CID 141396871

IUPAC[2-(2-methyloxiran-2-yl)oxiran-2-yl]methyl 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OCC1(C2(C)CO2)CO1
InChIInChI=1S/C10H14O4/c1-7(2)8(11)12-5-10(6-14-10)9(3)4-13-9/h1,4-6H2,2-3H3
InChIKeyLQFOLHBGHVIGIP-UHFFFAOYSA-N
MW198.22 g/mol
LogP0.66
Rot. Bonds4

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

[2-(2-methyloxiran-2-yl)oxiran-2-yl]methyl 2-methylprop-2-enoate (PubChem CID 141396871) has the molecular formula C10H14O4 and a molecular weight of 198.22 g/mol. Its IUPAC name is [2-(2-methyloxiran-2-yl)oxiran-2-yl]methyl 2-methylprop-2-enoate.

Molecular Properties

Compound Name[2-(2-methyloxiran-2-yl)oxiran-2-yl]methyl 2-methylprop-2-enoate
PubChem CID141396871
Molecular FormulaC10H14O4
Molecular Weight198.22 g/mol
Exact Mass198.09
IUPAC Name[2-(2-methyloxiran-2-yl)oxiran-2-yl]methyl 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OCC1(C2(C)CO2)CO1
InChIInChI=1S/C10H14O4/c1-7(2)8(11)12-5-10(6-14-10)9(3)4-13-9/h1,4-6H2,2-3H3
InChIKeyLQFOLHBGHVIGIP-UHFFFAOYSA-N
XLogP0.66
TPSA51.36 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.22
LogP ≤ 50.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze [2-(2-methyloxiran-2-yl)oxiran-2-yl]methyl 2-methylprop-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

[2-(2-methylprop-2-enoyloxy)oxiran-2-yl]methyl 2-methylprop-2-enoate
CID 141141914
(2,2,3,4,4-pentamethyloxetan-3-yl)methyl 2-methylprop-2-enoate
CID 118494757
methane;(2,2,3,4,4-pentamethyloxetan-3-yl)methyl 2-methylprop-2-enoate
CID 158025898
(2-prop-2-enoyloxyoxiran-2-yl)methyl 2-methylprop-2-enoate
CID 141129170
[3-(formyloxymethyl)oxetan-3-yl]methyl 2-methylprop-2-enoate
CID 145325243
(2,2,3,3,6-pentamethyloxadisilinan-6-yl)methyl 2-methylprop-2-enoate
CID 66887567
(5,5,6,6-tetrafluoro-2-methyl-1,3-dithiepan-2-yl)methyl 2-methylprop-2-enoate
CID 122493344
[3,5-bis(2-methylprop-2-enoyloxymethyl)-1-adamantyl]methyl 2-methylprop-2-enoate
CID 58325619
(5-methyl-2-phenyl-1,3-dioxan-5-yl)methyl 2-methylprop-2-enoate
CID 88985259
(2-heptyl-5-methyl-1,3-dioxan-5-yl)methyl 2-methylprop-2-enoate
CID 102103524
[2-(1-methylcyclohexyl)-2-oxoethyl] 2-methylprop-2-enoate
CID 68781991
(4-ethyl-1-bicyclo[2.2.1]heptanyl)methyl 2-methylprop-2-enoate
CID 142040492

Frequently Asked Questions

What is the IUPAC name of [2-(2-methyloxiran-2-yl)oxiran-2-yl]methyl 2-methylprop-2-enoate?
The IUPAC name of [2-(2-methyloxiran-2-yl)oxiran-2-yl]methyl 2-methylprop-2-enoate (CID 141396871) is [2-(2-methyloxiran-2-yl)oxiran-2-yl]methyl 2-methylprop-2-enoate.
What is the SMILES notation for [2-(2-methyloxiran-2-yl)oxiran-2-yl]methyl 2-methylprop-2-enoate?
The canonical SMILES for [2-(2-methyloxiran-2-yl)oxiran-2-yl]methyl 2-methylprop-2-enoate is C=C(C)C(=O)OCC1(C2(C)CO2)CO1.
What is the InChIKey of [2-(2-methyloxiran-2-yl)oxiran-2-yl]methyl 2-methylprop-2-enoate?
The InChIKey is LQFOLHBGHVIGIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14O4/c1-7(2)8(11)12-5-10(6-14-10)9(3)4-13-9/h1,4-6H2,2-3H3.
What are the key properties of [2-(2-methyloxiran-2-yl)oxiran-2-yl]methyl 2-methylprop-2-enoate?
[2-(2-methyloxiran-2-yl)oxiran-2-yl]methyl 2-methylprop-2-enoate has a molecular weight of 198.22 g/mol, XLogP of 0.66, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2-methyloxiran-2-yl)oxiran-2-yl]methyl 2-methylprop-2-enoate is sourced from PubChem (CID 141396871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).