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
    3.0078    1.2757   -0.1218 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2815    0.0130    0.2485 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9797   -0.0544   -0.2323 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.2118   -1.1698    0.0555 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7359   -2.0758    0.7433 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1801   -1.3559   -0.3963 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1801   -0.9425    0.5798 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5234   -1.7053    1.5135 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8011    0.3626    0.4922 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5292    1.2567   -0.4366 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9377    1.5206   -1.1973 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0835    1.1014    0.0955 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7176    2.1434    0.5275 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3012   -0.0649    1.3589 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9000   -0.8345   -0.1676 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2650   -0.8982   -1.3982 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3051   -2.4704   -0.5796 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5524    0.6509    1.2370 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0186    2.2226   -0.4649 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8018    1.0248   -1.1902 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