(2-ethyl-3-prop-2-enoyloxyoxiran-2-yl)methyl 2-methylprop-2-enoate

C12H16O5 — CID 141208157

IUPAC(2-ethyl-3-prop-2-enoyloxyoxiran-2-yl)methyl 2-methylprop-2-enoate
SMILESC=CC(=O)OC1OC1(CC)COC(=O)C(=C)C
InChIInChI=1S/C12H16O5/c1-5-9(13)16-11-12(6-2,17-11)7-15-10(14)8(3)4/h5,11H,1,3,6-7H2,2,4H3
InChIKeyHJSLCZUKOWXTSI-UHFFFAOYSA-N
MW240.25 g/mol
LogP1.34
Rot. Bonds6

About (2-ethyl-3-prop-2-enoyloxyoxiran-2-yl)methyl 2-methylprop-2-enoate

(2-ethyl-3-prop-2-enoyloxyoxiran-2-yl)methyl 2-methylprop-2-enoate (PubChem CID 141208157) has the molecular formula C12H16O5 and a molecular weight of 240.25 g/mol. Its IUPAC name is (2-ethyl-3-prop-2-enoyloxyoxiran-2-yl)methyl 2-methylprop-2-enoate.

Molecular Properties

Compound Name(2-ethyl-3-prop-2-enoyloxyoxiran-2-yl)methyl 2-methylprop-2-enoate
PubChem CID141208157
Molecular FormulaC12H16O5
Molecular Weight240.25 g/mol
Exact Mass240.10
IUPAC Name(2-ethyl-3-prop-2-enoyloxyoxiran-2-yl)methyl 2-methylprop-2-enoate
SMILESC=CC(=O)OC1OC1(CC)COC(=O)C(=C)C
InChIInChI=1S/C12H16O5/c1-5-9(13)16-11-12(6-2,17-11)7-15-10(14)8(3)4/h5,11H,1,3,6-7H2,2,4H3
InChIKeyHJSLCZUKOWXTSI-UHFFFAOYSA-N
XLogP1.34
TPSA65.13 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.25
LogP ≤ 51.34
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
hexakis(hydroxymethyl 2-methylprop-2-enoate);hexakis(hydroxymethyl prop-2-enoate);methane
CID 160775085
[5-ethyl-2-(2-methyl-1-prop-2-enoyloxypropan-2-yl)-1,3-dioxan-5-yl]methyl 2-methylprop-2-enoate
CID 139783066
[dimethyl(prop-2-enoyloxymethyl)silyl]methyl 2-methylprop-2-enoate
CID 150664135
2-hydroxyethyl prop-2-enoate;hydroxymethyl 2-methylprop-2-enoate
CID 159156853
(2-ethyl-2-methylcyclopentyl) 2-methylprop-2-enoate;(2-ethyl-2-methylcyclopentyl) prop-2-enoate
CID 175512236
ethyl 2-methylprop-2-enoate;[1-(oxiran-2-yl)cyclopropyl] prop-2-enoate
CID 88834562
butane;prop-2-enoyl 2-methylprop-2-enoate
CID 174895083
2-(2-methylprop-2-enoyloxy)ethyl 2-methylprop-2-enoate;2-[2-[2-(2-prop-2-enoyloxyethoxy)ethoxy]ethoxy]ethyl prop-2-enoate
CID 160886159
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
4-O-[2-(2-methylprop-2-enoyloxy)ethyl] 1-O-(2-prop-2-enoyloxyethyl) (E)-but-2-enedioate
CID 178063715
2-[2-(2-methylprop-2-enoyloxy)ethoxy]ethyl 2-methylprop-2-enoate;2-(2-methylprop-2-enoyloxy)ethyl 2-methylprop-2-enoate;2-prop-2-enoyloxyethyl prop-2-enoate
CID 159354100

Frequently Asked Questions

What is the IUPAC name of (2-ethyl-3-prop-2-enoyloxyoxiran-2-yl)methyl 2-methylprop-2-enoate?
The IUPAC name of (2-ethyl-3-prop-2-enoyloxyoxiran-2-yl)methyl 2-methylprop-2-enoate (CID 141208157) is (2-ethyl-3-prop-2-enoyloxyoxiran-2-yl)methyl 2-methylprop-2-enoate.
What is the SMILES notation for (2-ethyl-3-prop-2-enoyloxyoxiran-2-yl)methyl 2-methylprop-2-enoate?
The canonical SMILES for (2-ethyl-3-prop-2-enoyloxyoxiran-2-yl)methyl 2-methylprop-2-enoate is C=CC(=O)OC1OC1(CC)COC(=O)C(=C)C.
What is the InChIKey of (2-ethyl-3-prop-2-enoyloxyoxiran-2-yl)methyl 2-methylprop-2-enoate?
The InChIKey is HJSLCZUKOWXTSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16O5/c1-5-9(13)16-11-12(6-2,17-11)7-15-10(14)8(3)4/h5,11H,1,3,6-7H2,2,4H3.
What are the key properties of (2-ethyl-3-prop-2-enoyloxyoxiran-2-yl)methyl 2-methylprop-2-enoate?
(2-ethyl-3-prop-2-enoyloxyoxiran-2-yl)methyl 2-methylprop-2-enoate has a molecular weight of 240.25 g/mol, XLogP of 1.34, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2-ethyl-3-prop-2-enoyloxyoxiran-2-yl)methyl 2-methylprop-2-enoate is sourced from PubChem (CID 141208157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).