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
    3.4786   -0.8716   -0.3169 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5459   -0.2757    0.7094 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1975   -0.5378    0.4868 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.4957   -0.1267   -0.6564 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1669    0.5150   -1.4981 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9372   -0.4342   -0.8469 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7665    0.3374    0.1110 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2290    1.1218    0.9162 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2118    0.1491    0.0814 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9959    0.8048    0.9265 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5096   -0.8461    0.1317 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2869   -1.9239   -0.5364 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5067   -0.2006   -1.1908 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8266   -0.5510    1.7479 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6854    0.8456    0.6389 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2138   -0.0951   -1.8687 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0909   -1.5220   -0.7841 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6614   -0.5124   -0.6152 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0669    0.6833    0.9247 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5263    1.4766    1.6390 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