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
    3.7410   -0.1127    0.2799 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4875   -0.0648   -0.5443 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3629    0.3047    0.2657 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.1145    0.4109   -0.2763 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0397    0.1798   -1.5017 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0846    0.7889    0.5115 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2925    0.8289   -0.3187 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4638    1.8495   -1.0372 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2872   -0.2508   -0.3438 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1496   -1.3366    0.3905 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8882    0.8266    0.8315 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5817   -0.3532   -0.3752 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6512   -0.9172    1.0614 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2964   -1.0684   -0.9903 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5951    0.7037   -1.3159 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1499    0.1363    1.3936 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8855    1.8324    0.8813 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1509   -0.1534   -0.9781 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3090   -1.5009    1.0488 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9057   -2.1036    0.3397 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