Monomers

Ethyl 3-oxopent-4-enoate

Identifiers

IUPAC name
ethyl 3-oxopent-4-enoate
InchI
InChI=1S/C7H10O3/c1-3-6(8)5-7(9)10-4-2/h3H,1,4-5H2,2H3
InchI Key
IEZWUJDDYLWKEP-UHFFFAOYSA-N
SMILES
CCOC(=O)CC(=O)C=C
Canonical SMILES
CCOC(=O)CC(=O)C=C
Isomeric SMILES
CCOC(=O)CC(=O)C=C
Resources
cid=

Structures

2D Structure
3D Structure

Molecular Formula and Computed Descriptors

Molecular Formula
C7H10O3
Heavy Atom Count
10
Molecular Weight
142.154
Exact Molecular Weight
142.063
Valence Electrons
56
Radical Electrons
0
tPSA
43.37
MolLogP
0.6947
H Bond Acceptors
3
H Bond Donors
0
Aliphatic Carbocycles
0
Aromatic Carbocycles
0
Aliphatic Heterocycles
0
Aromatic Heterocycles
0
Aliphatic Rings
0
Aromatic Rings
0

MOL File


     RDKit          3D

 20 19  0  0  0  0  0  0  0  0999 V2000
   -3.9073    0.2686   -0.3750 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6775   -0.4836    0.1361 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5749    0.3843   -0.0861 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2828    0.0799    0.2377 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0862   -1.0545    0.7685 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.8779    0.9692    0.0145 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1443    0.3716    0.4678 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4327    0.3857    1.6874 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.0784   -0.2384   -0.4617 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2150   -0.7724   -0.0414 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9878    1.2734    0.0848 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8960    0.3707   -1.4664 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7979   -0.3046   -0.0703 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6054   -1.4213   -0.4394 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8237   -0.7267    1.2040 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7147    1.9824    0.4869 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9284    1.1770   -1.0769 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8533   -0.2643   -1.5334 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4899   -0.7745    1.0089 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9050   -1.2225   -0.7400 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  2  0
  4  6  1  0
  6  7  1  0
  7  8  2  0
  7  9  1  0
  9 10  2  3
  1 11  1  0
  1 12  1  0
  1 13  1  0
  2 14  1  0
  2 15  1  0
  6 16  1  0
  6 17  1  0
  9 18  1  0
 10 19  1  0
 10 20  1  0
M  END

Similar Monomers

Structure
Similarity
IUPAC name
MF
Copolymers