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
   -3.8816    0.0079    0.1352 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6255   -0.5934   -0.4508 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5488    0.2286   -0.0397 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2382    0.0039   -0.3781 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0662   -0.9745   -1.0910 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7910    0.9409    0.1187 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1440    0.5586   -0.3389 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5020    0.8435   -1.5074 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.0258   -0.1389    0.5793 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2415   -0.5009    0.2178 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6559    0.7564    0.9210 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5328   -0.7588    0.6054 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4397    0.5755   -0.6612 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5030   -1.6451   -0.1344 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6870   -0.5423   -1.5563 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7223    0.8969    1.2468 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5206    1.9833   -0.2236 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6496   -0.3546    1.5790 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8712   -1.0134    0.9120 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5783   -0.2736   -0.7694 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