(2-prop-2-enoyloxyoxiran-2-yl)methyl 2-methylprop-2-enoate

C10H12O5 — CID 141129170

IUPAC(2-prop-2-enoyloxyoxiran-2-yl)methyl 2-methylprop-2-enoate
SMILESC=CC(=O)OC1(COC(=O)C(=C)C)CO1
InChIInChI=1S/C10H12O5/c1-4-8(11)15-10(6-14-10)5-13-9(12)7(2)3/h4H,1-2,5-6H2,3H3
InChIKeyIZLWRGPEJPWOPE-UHFFFAOYSA-N
MW212.20 g/mol
LogP0.56
Rot. Bonds5

About (2-prop-2-enoyloxyoxiran-2-yl)methyl 2-methylprop-2-enoate

(2-prop-2-enoyloxyoxiran-2-yl)methyl 2-methylprop-2-enoate (PubChem CID 141129170) has the molecular formula C10H12O5 and a molecular weight of 212.20 g/mol. Its IUPAC name is (2-prop-2-enoyloxyoxiran-2-yl)methyl 2-methylprop-2-enoate.

Molecular Properties

Compound Name(2-prop-2-enoyloxyoxiran-2-yl)methyl 2-methylprop-2-enoate
PubChem CID141129170
Molecular FormulaC10H12O5
Molecular Weight212.20 g/mol
Exact Mass212.07
IUPAC Name(2-prop-2-enoyloxyoxiran-2-yl)methyl 2-methylprop-2-enoate
SMILESC=CC(=O)OC1(COC(=O)C(=C)C)CO1
InChIInChI=1S/C10H12O5/c1-4-8(11)15-10(6-14-10)5-13-9(12)7(2)3/h4H,1-2,5-6H2,3H3
InChIKeyIZLWRGPEJPWOPE-UHFFFAOYSA-N
XLogP0.56
TPSA65.13 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.20
LogP ≤ 50.56
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-(2-methylprop-2-enoyloxy)oxiran-2-yl]methyl 2-methylprop-2-enoate
CID 141141914
(2-phosphonooxyoxiran-2-yl)methyl prop-2-enoate
CID 156783562
[2-(2-methyloxiran-2-yl)oxiran-2-yl]methyl 2-methylprop-2-enoate
CID 141396871
ethyl 2-methylprop-2-enoate;[1-(oxiran-2-yl)cyclopropyl] prop-2-enoate
CID 88834562
(2-ethyl-3-prop-2-enoyloxyoxiran-2-yl)methyl 2-methylprop-2-enoate
CID 141208157
[dimethyl(prop-2-enoyloxymethyl)silyl]methyl 2-methylprop-2-enoate
CID 150664135
[5-ethyl-2-(2-methyl-1-prop-2-enoyloxypropan-2-yl)-1,3-dioxan-5-yl]methyl 2-methylprop-2-enoate
CID 139783066
hexakis(hydroxymethyl 2-methylprop-2-enoate);hexakis(hydroxymethyl prop-2-enoate);methane
CID 160775085
[2-[2-(2-prop-2-enoyloxyoxetan-2-yl)ethyl]oxetan-2-yl] prop-2-enoate
CID 175067757
oxiran-2-ylmethyl 2-methylprop-2-enoate;(1-propylcyclopropyl) prop-2-enoate
CID 87085924
4-O-[2-(2-methylprop-2-enoyloxy)ethyl] 1-O-(2-prop-2-enoyloxyethyl) (E)-but-2-enedioate
CID 178063715
bis(2-[2-(2-methylprop-2-enoyloxy)ethoxy]ethyl 2-methylprop-2-enoate);bis(2-(2-prop-2-enoyloxyethoxy)ethyl prop-2-enoate)
CID 160660181

Frequently Asked Questions

What is the IUPAC name of (2-prop-2-enoyloxyoxiran-2-yl)methyl 2-methylprop-2-enoate?
The IUPAC name of (2-prop-2-enoyloxyoxiran-2-yl)methyl 2-methylprop-2-enoate (CID 141129170) is (2-prop-2-enoyloxyoxiran-2-yl)methyl 2-methylprop-2-enoate.
What is the SMILES notation for (2-prop-2-enoyloxyoxiran-2-yl)methyl 2-methylprop-2-enoate?
The canonical SMILES for (2-prop-2-enoyloxyoxiran-2-yl)methyl 2-methylprop-2-enoate is C=CC(=O)OC1(COC(=O)C(=C)C)CO1.
What is the InChIKey of (2-prop-2-enoyloxyoxiran-2-yl)methyl 2-methylprop-2-enoate?
The InChIKey is IZLWRGPEJPWOPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12O5/c1-4-8(11)15-10(6-14-10)5-13-9(12)7(2)3/h4H,1-2,5-6H2,3H3.
What are the key properties of (2-prop-2-enoyloxyoxiran-2-yl)methyl 2-methylprop-2-enoate?
(2-prop-2-enoyloxyoxiran-2-yl)methyl 2-methylprop-2-enoate has a molecular weight of 212.20 g/mol, XLogP of 0.56, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2-prop-2-enoyloxyoxiran-2-yl)methyl 2-methylprop-2-enoate is sourced from PubChem (CID 141129170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).