(2-ethenoxy-2-oxoethyl) prop-2-enoate

C7H8O4 — CID 18411317

IUPAC(2-ethenoxy-2-oxoethyl) prop-2-enoate
SMILESC=COC(=O)COC(=O)C=C
InChIInChI=1S/C7H8O4/c1-3-6(8)11-5-7(9)10-4-2/h3-4H,1-2,5H2
InChIKeyPKPSBLGBZNZAST-UHFFFAOYSA-N
MW156.14 g/mol
LogP0.40
Rot. Bonds4

About (2-ethenoxy-2-oxoethyl) prop-2-enoate

(2-ethenoxy-2-oxoethyl) prop-2-enoate (PubChem CID 18411317) has the molecular formula C7H8O4 and a molecular weight of 156.14 g/mol. Its IUPAC name is (2-ethenoxy-2-oxoethyl) prop-2-enoate.

Molecular Properties

Compound Name(2-ethenoxy-2-oxoethyl) prop-2-enoate
PubChem CID18411317
Molecular FormulaC7H8O4
Molecular Weight156.14 g/mol
Exact Mass156.04
IUPAC Name(2-ethenoxy-2-oxoethyl) prop-2-enoate
SMILESC=COC(=O)COC(=O)C=C
InChIInChI=1S/C7H8O4/c1-3-6(8)11-5-7(9)10-4-2/h3-4H,1-2,5H2
InChIKeyPKPSBLGBZNZAST-UHFFFAOYSA-N
XLogP0.40
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.14
LogP ≤ 50.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

(2-ethenoxy-2-oxoethyl) 2-prop-2-enoyloxypropanoate
CID 19748653
2-(prop-2-enoyloxymethyl)prop-2-enyl prop-2-enoate
CID 87837964
methane;2-oxobut-3-enyl prop-2-enoate
CID 161424995
ethenyl acetate;prop-2-enyl prop-2-enoate;hydrochloride
CID 88696275
ethenyl prop-2-enoate;urea
CID 146453811
methane;prop-2-enyl prop-2-enoate
CID 87568259
(2-hydroxy-3-prop-2-enoyloxyprop-2-enyl) prop-2-enoate
CID 175362972
buta-1,3-diene;prop-2-enyl prop-2-enoate
CID 87253709
2-prop-2-enoyloxyethyl prop-2-enoate;zinc
CID 88622091
[2-(2-hydroxyacetyl)oxyacetyl]oxymethyl prop-2-enoate;methane
CID 161479127
ethenol;ethenyl 2-aminoacetate
CID 19851300
[2-(methylamino)-2-oxoethyl] prop-2-enoate
CID 141279925

Frequently Asked Questions

What is the IUPAC name of (2-ethenoxy-2-oxoethyl) prop-2-enoate?
The IUPAC name of (2-ethenoxy-2-oxoethyl) prop-2-enoate (CID 18411317) is (2-ethenoxy-2-oxoethyl) prop-2-enoate.
What is the SMILES notation for (2-ethenoxy-2-oxoethyl) prop-2-enoate?
The canonical SMILES for (2-ethenoxy-2-oxoethyl) prop-2-enoate is C=COC(=O)COC(=O)C=C.
What is the InChIKey of (2-ethenoxy-2-oxoethyl) prop-2-enoate?
The InChIKey is PKPSBLGBZNZAST-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8O4/c1-3-6(8)11-5-7(9)10-4-2/h3-4H,1-2,5H2.
What are the key properties of (2-ethenoxy-2-oxoethyl) prop-2-enoate?
(2-ethenoxy-2-oxoethyl) prop-2-enoate has a molecular weight of 156.14 g/mol, XLogP of 0.40, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-ethenoxy-2-oxoethyl) prop-2-enoate is sourced from PubChem (CID 18411317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).