[2-(3-ethoxy-3-oxoprop-1-en-2-yl)oxiran-2-yl]methyl 2-methylprop-2-enoate

C12H16O5 — CID 141059999

IUPAC[2-(3-ethoxy-3-oxoprop-1-en-2-yl)oxiran-2-yl]methyl 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OCC1(C(=C)C(=O)OCC)CO1
InChIInChI=1S/C12H16O5/c1-5-15-11(14)9(4)12(7-17-12)6-16-10(13)8(2)3/h2,4-7H2,1,3H3
InChIKeyIYAHCCYJYFCHSY-UHFFFAOYSA-N
MW240.25 g/mol
LogP0.99
Rot. Bonds6

About [2-(3-ethoxy-3-oxoprop-1-en-2-yl)oxiran-2-yl]methyl 2-methylprop-2-enoate

[2-(3-ethoxy-3-oxoprop-1-en-2-yl)oxiran-2-yl]methyl 2-methylprop-2-enoate (PubChem CID 141059999) has the molecular formula C12H16O5 and a molecular weight of 240.25 g/mol. Its IUPAC name is [2-(3-ethoxy-3-oxoprop-1-en-2-yl)oxiran-2-yl]methyl 2-methylprop-2-enoate.

Molecular Properties

Compound Name[2-(3-ethoxy-3-oxoprop-1-en-2-yl)oxiran-2-yl]methyl 2-methylprop-2-enoate
PubChem CID141059999
Molecular FormulaC12H16O5
Molecular Weight240.25 g/mol
Exact Mass240.10
IUPAC Name[2-(3-ethoxy-3-oxoprop-1-en-2-yl)oxiran-2-yl]methyl 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OCC1(C(=C)C(=O)OCC)CO1
InChIInChI=1S/C12H16O5/c1-5-15-11(14)9(4)12(7-17-12)6-16-10(13)8(2)3/h2,4-7H2,1,3H3
InChIKeyIYAHCCYJYFCHSY-UHFFFAOYSA-N
XLogP0.99
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 ≤ 50.99
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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Frequently Asked Questions

What is the IUPAC name of [2-(3-ethoxy-3-oxoprop-1-en-2-yl)oxiran-2-yl]methyl 2-methylprop-2-enoate?
The IUPAC name of [2-(3-ethoxy-3-oxoprop-1-en-2-yl)oxiran-2-yl]methyl 2-methylprop-2-enoate (CID 141059999) is [2-(3-ethoxy-3-oxoprop-1-en-2-yl)oxiran-2-yl]methyl 2-methylprop-2-enoate.
What is the SMILES notation for [2-(3-ethoxy-3-oxoprop-1-en-2-yl)oxiran-2-yl]methyl 2-methylprop-2-enoate?
The canonical SMILES for [2-(3-ethoxy-3-oxoprop-1-en-2-yl)oxiran-2-yl]methyl 2-methylprop-2-enoate is C=C(C)C(=O)OCC1(C(=C)C(=O)OCC)CO1.
What is the InChIKey of [2-(3-ethoxy-3-oxoprop-1-en-2-yl)oxiran-2-yl]methyl 2-methylprop-2-enoate?
The InChIKey is IYAHCCYJYFCHSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16O5/c1-5-15-11(14)9(4)12(7-17-12)6-16-10(13)8(2)3/h2,4-7H2,1,3H3.
What are the key properties of [2-(3-ethoxy-3-oxoprop-1-en-2-yl)oxiran-2-yl]methyl 2-methylprop-2-enoate?
[2-(3-ethoxy-3-oxoprop-1-en-2-yl)oxiran-2-yl]methyl 2-methylprop-2-enoate has a molecular weight of 240.25 g/mol, XLogP of 0.99, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(3-ethoxy-3-oxoprop-1-en-2-yl)oxiran-2-yl]methyl 2-methylprop-2-enoate is sourced from PubChem (CID 141059999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).