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
    3.3956    0.7018   -0.0467 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9480   -0.7284   -0.1612 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6114   -0.9226    0.2410 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.5242   -0.3015   -0.3491 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7248    0.4819   -1.2973 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8159   -0.6010    0.1774 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8795    0.1361   -0.5522 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5279    0.8938   -1.4899 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2738   -0.0232   -0.1836 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2347    0.6178   -0.8135 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2974    0.8511   -0.6622 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6353    1.4346   -0.3338 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6388    0.8960    1.0285 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5769   -1.3210    0.5621 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0692   -1.1575   -1.1606 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8524   -0.3409    1.2672 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0625   -1.6930    0.0535 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5239   -0.6951    0.6400 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9940    1.2821   -1.6268 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2568    0.4889   -0.5290 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