ethyl 2-[2-(prop-2-enoxymethyl)oxiran-2-yl]prop-2-enoate

C11H16O4 — CID 139792171

IUPACethyl 2-[2-(prop-2-enoxymethyl)oxiran-2-yl]prop-2-enoate
SMILESC=CCOCC1(C(=C)C(=O)OCC)CO1
InChIInChI=1S/C11H16O4/c1-4-6-13-7-11(8-15-11)9(3)10(12)14-5-2/h4H,1,3,5-8H2,2H3
InChIKeyZARWHYZXTFDMHU-UHFFFAOYSA-N
MW212.24 g/mol
LogP1.08
Rot. Bonds7

About ethyl 2-[2-(prop-2-enoxymethyl)oxiran-2-yl]prop-2-enoate

ethyl 2-[2-(prop-2-enoxymethyl)oxiran-2-yl]prop-2-enoate (PubChem CID 139792171) has the molecular formula C11H16O4 and a molecular weight of 212.24 g/mol. Its IUPAC name is ethyl 2-[2-(prop-2-enoxymethyl)oxiran-2-yl]prop-2-enoate.

Molecular Properties

Compound Nameethyl 2-[2-(prop-2-enoxymethyl)oxiran-2-yl]prop-2-enoate
PubChem CID139792171
Molecular FormulaC11H16O4
Molecular Weight212.24 g/mol
Exact Mass212.10
IUPAC Nameethyl 2-[2-(prop-2-enoxymethyl)oxiran-2-yl]prop-2-enoate
SMILESC=CCOCC1(C(=C)C(=O)OCC)CO1
InChIInChI=1S/C11H16O4/c1-4-6-13-7-11(8-15-11)9(3)10(12)14-5-2/h4H,1,3,5-8H2,2H3
InChIKeyZARWHYZXTFDMHU-UHFFFAOYSA-N
XLogP1.08
TPSA48.06 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.24
LogP ≤ 51.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'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 ethyl 2-[2-(prop-2-enoxymethyl)oxiran-2-yl]prop-2-enoate?
The IUPAC name of ethyl 2-[2-(prop-2-enoxymethyl)oxiran-2-yl]prop-2-enoate (CID 139792171) is ethyl 2-[2-(prop-2-enoxymethyl)oxiran-2-yl]prop-2-enoate.
What is the SMILES notation for ethyl 2-[2-(prop-2-enoxymethyl)oxiran-2-yl]prop-2-enoate?
The canonical SMILES for ethyl 2-[2-(prop-2-enoxymethyl)oxiran-2-yl]prop-2-enoate is C=CCOCC1(C(=C)C(=O)OCC)CO1.
What is the InChIKey of ethyl 2-[2-(prop-2-enoxymethyl)oxiran-2-yl]prop-2-enoate?
The InChIKey is ZARWHYZXTFDMHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16O4/c1-4-6-13-7-11(8-15-11)9(3)10(12)14-5-2/h4H,1,3,5-8H2,2H3.
What are the key properties of ethyl 2-[2-(prop-2-enoxymethyl)oxiran-2-yl]prop-2-enoate?
ethyl 2-[2-(prop-2-enoxymethyl)oxiran-2-yl]prop-2-enoate has a molecular weight of 212.24 g/mol, XLogP of 1.08, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[2-(prop-2-enoxymethyl)oxiran-2-yl]prop-2-enoate is sourced from PubChem (CID 139792171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).